============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 18 0.840 17.105 33.196 43.951 -99.200 -91.000 TRP 22 1.040 12.662 42.788 31.728 -99.200 -91.000 TRP6 22 1.020 11.578 43.543 29.757 -99.200 -91.000 PHE 59 1.000 29.231 32.799 39.582 -99.200 -91.000 TRP 69 1.040 35.515 34.502 42.095 -99.200 -91.000 TRP6 69 1.020 36.419 36.681 42.309 -99.200 -91.000 HIS 78 0.900 27.167 41.209 36.886 -99.200 -91.000 PHE 89 1.000 29.753 14.339 19.573 -99.200 -91.000 TYR 91 0.840 34.315 11.155 29.897 -99.200 -91.000 HIS 115 0.900 19.578 16.158 42.868 -99.200 -91.000 TYR 124 0.840 21.671 27.607 40.682 -99.200 -91.000 TYR 130 0.840 33.068 23.397 30.021 -99.200 -91.000 PHE 135 1.000 23.828 14.065 29.620 -99.200 -91.000 PHE 156 1.000 19.458 22.494 29.356 -99.200 -91.000 PHE 180 1.000 18.344 24.989 21.039 -99.200 -91.000 PHE 218 1.000 38.808 32.263 26.497 -99.200 -91.000 TRP 228 1.040 27.833 45.619 21.038 -99.200 -91.000 TRP6 228 1.020 25.795 44.688 21.803 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qv5A1 LEU 148 HA -0.02 -0.01 0.10 -0.75 4.35 3.66 2qv5A1 LEU 148 HB2 -0.04 -0.05 -0.03 -0.04 1.64 1.49 2qv5A1 LEU 148 HB3 -0.02 -0.03 0.01 -0.04 1.64 1.56 2qv5A1 LEU 148 HG -0.01 0.12 -0.37 -0.04 1.64 1.34 2qv5A1 LEU 148 HD13 -0.02 0.02 -0.20 -0.04 0.93 0.69 2qv5A1 LEU 148 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.74 2qv5A1 GLY 149 H -0.00 0.31 0.03 -0.55 8.43 8.22 2qv5A1 GLY 149 HA2 0.00 0.13 0.40 -0.51 4.01 4.03 2qv5A1 GLY 149 HA3 -0.01 0.08 0.78 -0.51 4.01 4.36 2qv5A1 GLN 150 H -0.01 0.11 -0.25 -0.55 8.47 7.77 2qv5A1 GLN 150 HA -0.02 0.12 0.81 -0.75 4.36 4.51 2qv5A1 GLN 150 HB2 -0.02 0.03 -0.10 -0.04 2.15 2.02 2qv5A1 GLN 150 HB3 -0.02 0.02 0.01 -0.04 2.02 1.99 2qv5A1 GLN 150 HG2 -0.01 0.06 -0.26 -0.04 2.40 2.14 2qv5A1 GLN 150 HG3 -0.01 -0.02 -0.08 -0.04 2.39 2.24 2qv5A1 GLN 150 HE21 -0.01 -0.05 -0.09 -0.04 6.97 6.79 2qv5A1 GLN 150 HE22 -0.01 0.03 -0.23 -0.04 7.69 7.44 2qv5A1 LEU 151 H -0.05 0.06 0.09 -0.55 8.37 7.93 2qv5A1 LEU 151 HA -0.02 0.18 0.51 -0.75 4.35 4.27 2qv5A1 LEU 151 HB2 -0.11 -0.04 0.02 -0.04 1.64 1.47 2qv5A1 LEU 151 HB3 -0.13 0.09 0.03 -0.04 1.64 1.59 2qv5A1 LEU 151 HG -0.12 -0.05 0.00 -0.04 1.64 1.43 2qv5A1 LEU 151 HD13 -0.56 -0.02 -0.02 -0.04 0.93 0.30 2qv5A1 LEU 151 HD23 -0.09 0.01 -0.10 -0.04 0.89 0.67 2qv5A1 PRO 152 HA -0.05 0.03 0.63 -0.51 4.44 4.54 2qv5A1 PRO 152 HB2 -0.07 0.12 -0.02 -0.04 2.28 2.27 2qv5A1 PRO 152 HB3 -0.19 -0.02 0.12 -0.04 2.02 1.89 2qv5A1 PRO 152 HG2 -0.01 -0.02 0.04 -0.04 2.03 2.00 2qv5A1 PRO 152 HG3 -0.38 0.01 0.06 -0.04 2.03 1.68 2qv5A1 PRO 152 HD2 0.02 0.01 0.18 -0.04 3.68 3.85 2qv5A1 PRO 152 HD3 0.03 0.30 0.19 -0.04 3.65 4.13 2qv5A1 VAL 153 H -0.02 0.21 0.23 -0.55 8.24 8.11 2qv5A1 VAL 153 HA -0.01 0.13 0.68 -0.75 4.13 4.17 2qv5A1 VAL 153 HB -0.01 0.14 0.02 -0.04 2.12 2.22 2qv5A1 VAL 153 HG13 -0.02 0.00 -0.11 -0.04 0.97 0.80 2qv5A1 VAL 153 HG23 -0.02 -0.01 -0.09 -0.04 0.95 0.79 2qv5A1 VAL 154 H -0.01 0.16 0.12 -0.55 8.24 7.96 2qv5A1 VAL 154 HA -0.02 0.16 0.66 -0.75 4.13 4.18 2qv5A1 VAL 154 HB -0.00 -0.03 0.11 -0.04 2.12 2.15 2qv5A1 VAL 154 HG13 -0.01 0.04 -0.24 -0.04 0.97 0.72 2qv5A1 VAL 154 HG23 -0.00 -0.01 -0.10 -0.04 0.95 0.80 2qv5A1 GLY 155 H -0.03 0.60 0.20 -0.55 8.43 8.65 2qv5A1 GLY 155 HA2 -0.02 0.10 0.43 -0.51 4.01 4.01 2qv5A1 GLY 155 HA3 -0.02 -0.06 0.36 -0.51 4.01 3.78 2qv5A1 ALA 156 H -0.01 0.14 0.16 -0.55 8.40 8.15 2qv5A1 ALA 156 HA -0.01 0.16 0.43 -0.75 4.34 4.17 2qv5A1 ALA 156 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2qv5A1 ASP 157 H -0.02 0.01 -0.15 -0.55 8.40 7.70 2qv5A1 ASP 157 HA -0.01 0.18 0.54 -0.75 4.63 4.58 2qv5A1 ASP 157 HB2 -0.01 0.06 0.10 -0.04 2.71 2.82 2qv5A1 ASP 157 HB3 -0.01 -0.00 0.06 -0.04 2.70 2.71 2qv5A1 GLY 158 H -0.01 0.36 -0.68 -0.55 8.43 7.55 2qv5A1 GLY 158 HA2 -0.01 0.11 0.19 -0.51 4.01 3.79 2qv5A1 GLY 158 HA3 -0.01 0.15 0.63 -0.51 4.01 4.27 2qv5A1 LEU 159 H -0.03 -0.09 -0.21 -0.55 8.37 7.50 2qv5A1 LEU 159 HA -0.04 0.12 0.53 -0.75 4.35 4.21 2qv5A1 LEU 159 HB2 -0.04 0.01 0.02 -0.04 1.64 1.58 2qv5A1 LEU 159 HB3 -0.06 -0.07 0.08 -0.04 1.64 1.54 2qv5A1 LEU 159 HG -0.10 0.09 -0.07 -0.04 1.64 1.52 2qv5A1 LEU 159 HD13 -0.05 0.01 -0.01 -0.04 0.93 0.84 2qv5A1 LEU 159 HD23 -0.10 0.01 -0.04 -0.04 0.89 0.72 2qv5A1 ARG 160 H -0.04 0.11 0.26 -0.55 8.46 8.23 2qv5A1 ARG 160 HA -0.03 0.23 0.68 -0.75 4.34 4.47 2qv5A1 ARG 160 HB2 -0.02 -0.13 0.18 -0.04 1.90 1.89 2qv5A1 ARG 160 HB3 -0.01 0.24 0.23 -0.04 1.80 2.22 2qv5A1 ARG 160 HG2 -0.00 0.03 0.02 -0.04 1.67 1.68 2qv5A1 ARG 160 HG3 -0.01 0.14 0.05 -0.04 1.67 1.81 2qv5A1 ARG 160 HD2 0.01 0.02 0.03 -0.04 3.22 3.24 2qv5A1 ARG 160 HD3 0.00 0.04 0.03 -0.04 3.22 3.26 2qv5A1 PRO 161 HA -0.15 -0.01 0.56 -0.51 4.44 4.32 2qv5A1 PRO 161 HB2 0.01 0.08 0.01 -0.04 2.28 2.35 2qv5A1 PRO 161 HB3 0.09 0.03 0.11 -0.04 2.02 2.21 2qv5A1 PRO 161 HG2 -0.02 0.18 -0.04 -0.04 2.03 2.11 2qv5A1 PRO 161 HG3 0.01 -0.03 0.09 -0.04 2.03 2.06 2qv5A1 PRO 161 HD2 -0.01 0.17 0.28 -0.04 3.68 4.08 2qv5A1 PRO 161 HD3 -0.03 0.22 0.13 -0.04 3.65 3.94 2qv5A1 MET 162 H 0.01 0.54 -0.03 -0.55 8.47 8.44 2qv5A1 MET 162 HA 0.06 -0.04 0.42 -0.75 4.52 4.20 2qv5A1 MET 162 HB2 0.04 -0.12 0.09 -0.04 2.15 2.13 2qv5A1 MET 162 HB3 0.04 0.13 0.24 -0.04 2.03 2.40 2qv5A1 MET 162 HG2 0.01 0.12 0.06 -0.04 2.63 2.77 2qv5A1 MET 162 HG3 0.02 -0.03 -0.20 -0.04 2.56 2.31 2qv5A1 MET 162 HE3 0.03 -0.03 -0.08 -0.04 2.10 1.98 2qv5A1 GLU 163 H -0.04 0.23 -0.35 -0.55 8.60 7.89 2qv5A1 GLU 163 HA 0.00 0.14 0.76 -0.75 4.29 4.43 2qv5A1 GLU 163 HB2 -0.06 0.00 0.18 -0.04 2.09 2.18 2qv5A1 GLU 163 HB3 -0.03 0.01 0.00 -0.04 1.99 1.93 2qv5A1 GLU 163 HG2 0.01 0.05 -0.00 -0.04 2.34 2.35 2qv5A1 GLU 163 HG3 0.00 -0.04 -0.07 -0.04 2.34 2.19 2qv5A1 GLN 164 H -0.20 0.53 0.11 -0.55 8.47 8.37 2qv5A1 GLN 164 HA -0.23 0.02 0.31 -0.75 4.36 3.71 2qv5A1 GLN 164 HB2 -0.36 0.02 0.02 -0.04 2.15 1.78 2qv5A1 GLN 164 HB3 -1.14 0.03 0.08 -0.04 2.02 0.95 2qv5A1 GLN 164 HG2 -0.60 0.04 -0.03 -0.04 2.40 1.76 2qv5A1 GLN 164 HG3 -0.27 -0.04 0.03 -0.04 2.39 2.07 2qv5A1 GLN 164 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2qv5A1 GLN 164 HE22 -0.08 0.01 -0.02 -0.04 7.69 7.56 2qv5A1 TYR 165 H -0.17 0.46 -0.22 -0.55 8.29 7.81 2qv5A1 TYR 165 HA 0.00 0.22 0.72 -0.75 4.56 4.76 2qv5A1 TYR 165 HB2 -0.02 -0.02 -0.30 -0.04 3.06 2.68 2qv5A1 TYR 165 HB3 -0.00 0.12 0.02 -0.04 2.98 3.08 2qv5A1 TYR 165 HD2 -0.06 0.16 -0.11 -0.04 7.15 7.10 2qv5A1 TYR 165 HE2 -0.08 0.01 0.00 -0.04 6.85 6.74 2qv5A1 ALA 166 H 0.03 0.22 -0.55 -0.55 8.40 7.56 2qv5A1 ALA 166 HA 0.09 -0.17 0.54 -0.75 4.34 4.05 2qv5A1 ALA 166 HB3 0.08 0.11 0.00 -0.04 1.41 1.55 2qv5A1 ARG 167 H 0.10 -0.12 0.18 -0.55 8.46 8.06 2qv5A1 ARG 167 HA 0.09 0.27 0.80 -0.75 4.34 4.75 2qv5A1 ARG 167 HB2 0.08 0.11 0.13 -0.04 1.90 2.18 2qv5A1 ARG 167 HB3 0.09 -0.30 0.22 -0.04 1.80 1.77 2qv5A1 ARG 167 HG2 0.11 0.16 -0.19 -0.04 1.67 1.71 2qv5A1 ARG 167 HG3 0.07 0.09 0.08 -0.04 1.67 1.86 2qv5A1 ARG 167 HD2 0.03 0.30 0.00 -0.04 3.22 3.52 2qv5A1 ARG 167 HD3 0.06 -0.21 0.01 -0.04 3.22 3.05 2qv5A1 PRO 168 HA 0.16 0.01 0.46 -0.51 4.44 4.56 2qv5A1 PRO 168 HB2 0.03 -0.00 -0.04 -0.04 2.28 2.23 2qv5A1 PRO 168 HB3 0.01 0.01 0.09 -0.04 2.02 2.08 2qv5A1 PRO 168 HG2 0.03 0.00 0.07 -0.04 2.03 2.10 2qv5A1 PRO 168 HG3 0.03 0.06 0.07 -0.04 2.03 2.15 2qv5A1 PRO 168 HD2 0.06 0.09 0.22 -0.04 3.68 4.01 2qv5A1 PRO 168 HD3 0.07 0.35 0.28 -0.04 3.65 4.31 2qv5A1 TRP 169 H -0.02 0.19 0.19 -0.55 7.97 7.79 2qv5A1 TRP 169 HA 0.01 0.20 0.68 -0.75 4.62 4.76 2qv5A1 TRP 169 HB2 0.02 -0.07 0.13 -0.04 3.23 3.26 2qv5A1 TRP 169 HB3 0.02 0.07 -0.07 -0.04 3.23 3.21 2qv5A1 TRP 169 HD1 0.02 0.08 0.01 -0.04 7.22 7.28 2qv5A1 TRP 169 HE1 0.01 0.05 -0.02 -0.04 10.20 10.21 2qv5A1 TRP 169 HE3 0.01 -0.02 -0.02 -0.04 7.59 7.52 2qv5A1 TRP 169 HZ2 0.01 0.06 -0.03 -0.04 7.44 7.44 2qv5A1 TRP 169 HZ3 0.01 0.37 -0.15 -0.04 7.13 7.32 2qv5A1 TRP 169 HH2 0.01 0.09 -0.16 -0.04 7.19 7.09 2qv5A1 SER 170 H 0.30 0.16 0.12 -0.55 8.46 8.49 2qv5A1 SER 170 HA -0.12 0.12 0.25 -0.75 4.49 3.97 2qv5A1 SER 170 HB2 -0.03 0.02 0.09 -0.04 3.95 3.99 2qv5A1 SER 170 HB3 0.06 0.04 0.12 -0.04 3.93 4.11 2qv5A1 GLY 171 H -1.67 0.08 -0.23 -0.55 8.43 6.05 2qv5A1 GLY 171 HA2 -1.79 0.03 0.26 -0.51 4.01 2.00 2qv5A1 GLY 171 HA3 -0.66 0.15 0.65 -0.51 4.01 3.63 2qv5A1 ALA 172 H -0.15 -0.06 -0.44 -0.55 8.40 7.21 2qv5A1 ALA 172 HA -0.01 0.05 0.42 -0.75 4.34 4.03 2qv5A1 ALA 172 HB3 0.03 0.01 0.01 -0.04 1.41 1.41 2qv5A1 ARG 173 H 0.06 0.04 0.16 -0.55 8.46 8.16 2qv5A1 ARG 173 HA 0.14 0.11 0.52 -0.75 4.34 4.36 2qv5A1 ARG 173 HB2 0.05 -0.05 0.12 -0.04 1.90 1.98 2qv5A1 ARG 173 HB3 0.06 0.02 0.06 -0.04 1.80 1.89 2qv5A1 ARG 173 HG2 0.08 0.06 0.07 -0.04 1.67 1.83 2qv5A1 ARG 173 HG3 0.05 -0.02 0.10 -0.04 1.67 1.76 2qv5A1 ARG 173 HD2 0.04 -0.00 0.03 -0.04 3.22 3.25 2qv5A1 ARG 173 HD3 0.03 -0.03 0.04 -0.04 3.22 3.21 2qv5A1 GLY 174 H 0.09 0.20 0.21 -0.55 8.43 8.39 2qv5A1 GLY 174 HA2 0.05 -0.05 0.30 -0.51 4.01 3.81 2qv5A1 GLY 174 HA3 0.07 0.18 0.74 -0.51 4.01 4.49 2qv5A1 THR 175 H 0.04 0.15 0.22 -0.55 8.28 8.14 2qv5A1 THR 175 HA 0.02 0.26 0.55 -0.75 4.39 4.47 2qv5A1 THR 175 HB 0.03 0.13 0.14 -0.04 4.32 4.58 2qv5A1 THR 175 HG23 0.05 -0.00 -0.36 -0.04 1.22 0.87 2qv5A1 ARG 176 H -0.01 0.61 0.46 -0.55 8.46 8.96 2qv5A1 ARG 176 HA -0.01 0.24 1.07 -0.75 4.34 4.88 2qv5A1 ARG 176 HB2 -0.14 -0.02 0.12 -0.04 1.90 1.82 2qv5A1 ARG 176 HB3 -0.20 -0.07 0.01 -0.04 1.80 1.50 2qv5A1 ARG 176 HG2 -0.10 -0.05 -0.08 -0.04 1.67 1.40 2qv5A1 ARG 176 HG3 -0.05 0.23 -0.26 -0.04 1.67 1.55 2qv5A1 ARG 176 HD2 -0.91 -0.09 -0.10 -0.04 3.22 2.08 2qv5A1 ARG 176 HD3 -0.73 -0.01 -0.09 -0.04 3.22 2.35 2qv5A1 VAL 177 H 0.01 0.64 0.33 -0.55 8.24 8.66 2qv5A1 VAL 177 HA 0.03 0.22 0.98 -0.75 4.13 4.61 2qv5A1 VAL 177 HB 0.19 -0.02 -0.09 -0.04 2.12 2.16 2qv5A1 VAL 177 HG13 0.18 -0.03 -0.28 -0.04 0.97 0.80 2qv5A1 VAL 177 HG23 0.21 -0.01 -0.28 -0.04 0.95 0.83 2qv5A1 ALA 178 H 0.00 0.52 0.37 -0.55 8.40 8.74 2qv5A1 ALA 178 HA 0.02 0.36 0.91 -0.75 4.34 4.88 2qv5A1 ALA 178 HB3 -0.02 -0.03 -0.03 -0.04 1.41 1.29 2qv5A1 ILE 179 H 0.05 0.34 0.17 -0.55 8.25 8.26 2qv5A1 ILE 179 HA 0.00 0.22 0.91 -0.75 4.18 4.56 2qv5A1 ILE 179 HB 0.07 0.02 0.04 -0.04 1.89 1.98 2qv5A1 ILE 179 HG12 -0.07 -0.06 -0.06 -0.04 1.49 1.26 2qv5A1 ILE 179 HG13 0.05 0.03 -0.50 -0.04 1.21 0.75 2qv5A1 ILE 179 HG23 -0.00 -0.03 -0.30 -0.04 0.93 0.56 2qv5A1 ILE 179 HD13 0.14 0.01 -0.13 -0.04 0.88 0.86 2qv5A1 VAL 180 H -0.00 0.64 0.29 -0.55 8.24 8.62 2qv5A1 VAL 180 HA 0.01 0.43 0.95 -0.75 4.13 4.77 2qv5A1 VAL 180 HB -0.01 -0.10 0.12 -0.04 2.12 2.09 2qv5A1 VAL 180 HG13 -0.01 -0.02 -0.35 -0.04 0.97 0.54 2qv5A1 VAL 180 HG23 0.00 0.01 -0.18 -0.04 0.95 0.74 2qv5A1 VAL 181 H -0.02 0.76 0.20 -0.55 8.24 8.63 2qv5A1 VAL 181 HA -0.05 0.11 0.80 -0.75 4.13 4.23 2qv5A1 VAL 181 HB -0.07 0.10 0.06 -0.04 2.12 2.17 2qv5A1 VAL 181 HG13 -0.11 -0.00 -0.37 -0.04 0.97 0.44 2qv5A1 VAL 181 HG23 -0.02 -0.00 -0.24 -0.04 0.95 0.65 2qv5A1 GLY 182 H -0.09 0.75 0.29 -0.55 8.43 8.83 2qv5A1 GLY 182 HA2 -0.12 0.15 0.85 -0.51 4.01 4.38 2qv5A1 GLY 182 HA3 -0.10 0.01 0.33 -0.51 4.01 3.74 2qv5A1 GLY 183 H -0.19 0.18 0.05 -0.55 8.43 7.91 2qv5A1 GLY 183 HA2 -0.28 0.02 0.30 -0.51 4.01 3.55 2qv5A1 GLY 183 HA3 -0.28 0.02 0.60 -0.51 4.01 3.84 2qv5A1 LEU 184 H -0.35 0.55 0.04 -0.55 8.37 8.07 2qv5A1 LEU 184 HA -0.47 -0.01 0.47 -0.75 4.35 3.58 2qv5A1 LEU 184 HB2 -0.95 0.18 0.08 -0.04 1.64 0.90 2qv5A1 LEU 184 HB3 -1.16 0.03 -0.03 -0.04 1.64 0.44 2qv5A1 LEU 184 HG -0.55 -0.10 0.04 -0.04 1.64 0.99 2qv5A1 LEU 184 HD13 -0.34 -0.02 -0.10 -0.04 0.93 0.44 2qv5A1 LEU 184 HD23 -0.55 0.03 -0.05 -0.04 0.89 0.27 2qv5A1 GLY 185 H -0.44 0.14 0.18 -0.55 8.43 7.76 2qv5A1 GLY 185 HA2 0.08 0.20 0.35 -0.51 4.01 4.12 2qv5A1 GLY 185 HA3 -0.02 0.19 0.71 -0.51 4.01 4.37 2qv5A1 LEU 186 H -0.21 0.41 -0.16 -0.55 8.37 7.87 2qv5A1 LEU 186 HA -0.09 0.15 0.57 -0.75 4.35 4.24 2qv5A1 LEU 186 HB2 -0.20 0.02 0.15 -0.04 1.64 1.58 2qv5A1 LEU 186 HB3 -0.13 -0.00 0.01 -0.04 1.64 1.47 2qv5A1 LEU 186 HG -0.21 0.01 -0.09 -0.04 1.64 1.31 2qv5A1 LEU 186 HD13 -0.29 -0.02 0.03 -0.04 0.93 0.61 2qv5A1 LEU 186 HD23 -0.14 0.01 -0.13 -0.04 0.89 0.59 2qv5A1 SER 187 H -0.19 0.15 0.08 -0.55 8.46 7.95 2qv5A1 SER 187 HA -0.06 0.27 0.92 -0.75 4.49 4.87 2qv5A1 SER 187 HB2 -0.09 0.15 0.09 -0.04 3.95 4.06 2qv5A1 SER 187 HB3 -0.16 0.03 0.16 -0.04 3.93 3.92 2qv5A1 GLN 188 H -0.00 0.27 0.09 -0.55 8.47 8.28 2qv5A1 GLN 188 HA 0.07 0.14 0.48 -0.75 4.36 4.29 2qv5A1 GLN 188 HB2 0.09 -0.01 0.12 -0.04 2.15 2.31 2qv5A1 GLN 188 HB3 0.26 0.07 0.03 -0.04 2.02 2.35 2qv5A1 GLN 188 HG2 0.09 0.03 0.03 -0.04 2.40 2.50 2qv5A1 GLN 188 HG3 0.13 0.05 0.01 -0.04 2.39 2.54 2qv5A1 GLN 188 HE21 0.23 0.30 -0.07 -0.04 6.97 7.39 2qv5A1 GLN 188 HE22 0.09 0.04 -0.18 -0.04 7.69 7.59 2qv5A1 THR 189 H -0.03 0.11 -0.01 -0.55 8.28 7.80 2qv5A1 THR 189 HA -0.02 0.18 0.56 -0.75 4.39 4.36 2qv5A1 THR 189 HB -0.03 0.06 0.01 -0.04 4.32 4.32 2qv5A1 THR 189 HG23 0.02 0.03 0.03 -0.04 1.22 1.25 2qv5A1 GLY 190 H -0.13 -0.00 -0.23 -0.55 8.43 7.53 2qv5A1 GLY 190 HA2 -0.14 0.08 0.47 -0.51 4.01 3.91 2qv5A1 GLY 190 HA3 -0.18 0.07 0.28 -0.51 4.01 3.67 2qv5A1 SER 191 H -0.45 0.48 -0.20 -0.55 8.46 7.75 2qv5A1 SER 191 HA -0.62 0.05 0.50 -0.75 4.49 3.66 2qv5A1 SER 191 HB2 -1.54 0.13 0.17 -0.04 3.95 2.67 2qv5A1 SER 191 HB3 -1.90 0.04 0.06 -0.04 3.93 2.09 2qv5A1 GLN 192 H -0.65 0.41 -0.15 -0.55 8.47 7.54 2qv5A1 GLN 192 HA -0.37 0.07 0.46 -0.75 4.36 3.76 2qv5A1 GLN 192 HB2 0.08 0.08 0.17 -0.04 2.15 2.45 2qv5A1 GLN 192 HB3 -0.06 0.05 0.14 -0.04 2.02 2.12 2qv5A1 GLN 192 HG2 0.07 0.01 -0.13 -0.04 2.40 2.32 2qv5A1 GLN 192 HG3 0.28 0.01 0.05 -0.04 2.39 2.69 2qv5A1 GLN 192 HE21 0.10 -0.01 -0.01 -0.04 6.97 7.01 2qv5A1 GLN 192 HE22 0.14 0.04 -0.01 -0.04 7.69 7.81 2qv5A1 LYS 193 H -0.19 0.43 -0.21 -0.55 8.42 7.89 2qv5A1 LYS 193 HA -0.05 0.06 0.40 -0.75 4.32 3.97 2qv5A1 LYS 193 HB2 -0.07 0.05 0.11 -0.04 1.87 1.92 2qv5A1 LYS 193 HB3 -0.11 0.05 0.08 -0.04 1.79 1.78 2qv5A1 LYS 193 HG2 -0.04 0.00 -0.14 -0.04 1.46 1.24 2qv5A1 LYS 193 HG3 -0.03 0.02 0.01 -0.04 1.46 1.43 2qv5A1 LYS 193 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 2qv5A1 LYS 193 HD3 -0.04 -0.06 -0.03 -0.04 1.68 1.51 2qv5A1 LYS 193 HE2 -0.00 -0.08 0.00 -0.04 2.99 2.87 2qv5A1 LYS 193 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2qv5A1 ALA 194 H -0.23 0.40 -0.25 -0.55 8.40 7.77 2qv5A1 ALA 194 HA -0.10 -0.05 0.32 -0.75 4.34 3.76 2qv5A1 ALA 194 HB3 -0.25 0.02 0.07 -0.04 1.41 1.22 2qv5A1 ILE 195 H -0.19 0.41 -0.16 -0.55 8.25 7.76 2qv5A1 ILE 195 HA -0.02 0.09 0.39 -0.75 4.18 3.88 2qv5A1 ILE 195 HB 0.06 0.04 0.11 -0.04 1.89 2.05 2qv5A1 ILE 195 HG12 -0.20 0.11 0.09 -0.04 1.49 1.45 2qv5A1 ILE 195 HG13 0.29 -0.10 -0.01 -0.04 1.21 1.35 2qv5A1 ILE 195 HG23 0.18 0.00 -0.18 -0.04 0.93 0.89 2qv5A1 ILE 195 HD13 0.05 -0.00 -0.06 -0.04 0.88 0.83 2qv5A1 ARG 196 H -0.01 0.43 -0.14 -0.55 8.46 8.19 2qv5A1 ARG 196 HA 0.06 0.03 0.44 -0.75 4.34 4.11 2qv5A1 ARG 196 HB2 0.03 0.03 0.12 -0.04 1.90 2.04 2qv5A1 ARG 196 HB3 0.00 0.03 0.13 -0.04 1.80 1.92 2qv5A1 ARG 196 HG2 0.03 0.02 -0.12 -0.04 1.67 1.55 2qv5A1 ARG 196 HG3 0.04 -0.02 0.03 -0.04 1.67 1.68 2qv5A1 ARG 196 HD2 0.03 -0.04 -0.04 -0.04 3.22 3.13 2qv5A1 ARG 196 HD3 0.01 -0.04 -0.04 -0.04 3.22 3.11 2qv5A1 ASP 197 H 0.01 0.31 -0.28 -0.55 8.40 7.89 2qv5A1 ASP 197 HA 0.03 0.16 0.62 -0.75 4.63 4.68 2qv5A1 ASP 197 HB2 0.00 0.03 -0.01 -0.04 2.71 2.68 2qv5A1 ASP 197 HB3 0.02 -0.08 -0.11 -0.04 2.70 2.49 2qv5A1 LEU 198 H 0.04 0.45 0.06 -0.55 8.37 8.37 2qv5A1 LEU 198 HA 0.08 -0.01 0.53 -0.75 4.35 4.19 2qv5A1 LEU 198 HB2 0.10 0.12 0.08 -0.04 1.64 1.89 2qv5A1 LEU 198 HB3 0.13 0.02 0.01 -0.04 1.64 1.76 2qv5A1 LEU 198 HG 0.00 -0.06 0.06 -0.04 1.64 1.61 2qv5A1 LEU 198 HD13 -0.06 -0.03 -0.05 -0.04 0.93 0.75 2qv5A1 LEU 198 HD23 0.04 -0.03 -0.06 -0.04 0.89 0.79 2qv5A1 PRO 199 HA 0.03 0.22 0.61 -0.51 4.44 4.78 2qv5A1 PRO 199 HB2 0.03 -0.06 0.03 -0.04 2.28 2.23 2qv5A1 PRO 199 HB3 0.03 0.08 0.13 -0.04 2.02 2.21 2qv5A1 PRO 199 HG2 0.08 -0.10 0.04 -0.04 2.03 2.01 2qv5A1 PRO 199 HG3 0.06 0.02 0.02 -0.04 2.03 2.09 2qv5A1 PRO 199 HD2 0.09 -0.04 0.24 -0.04 3.68 3.93 2qv5A1 PRO 199 HD3 0.07 0.24 0.25 -0.04 3.65 4.17 2qv5A1 PRO 200 HA -1.23 0.09 0.21 -0.51 4.44 3.00 2qv5A1 PRO 200 HB2 -0.15 0.05 -0.15 -0.04 2.28 1.99 2qv5A1 PRO 200 HB3 -0.29 0.29 -0.05 -0.04 2.02 1.92 2qv5A1 PRO 200 HG2 -0.06 -0.04 0.04 -0.04 2.03 1.93 2qv5A1 PRO 200 HG3 -0.07 0.12 0.12 -0.04 2.03 2.16 2qv5A1 PRO 200 HD2 -0.03 0.01 0.23 -0.04 3.68 3.85 2qv5A1 PRO 200 HD3 -0.07 0.21 0.20 -0.04 3.65 3.95 2qv5A1 GLU 201 H -0.01 0.01 -0.59 -0.55 8.60 7.47 2qv5A1 GLU 201 HA 0.04 0.11 0.38 -0.75 4.29 4.07 2qv5A1 GLU 201 HB2 0.05 -0.07 -0.06 -0.04 2.09 1.97 2qv5A1 GLU 201 HB3 0.06 -0.01 -0.12 -0.04 1.99 1.87 2qv5A1 GLU 201 HG2 0.05 0.06 0.08 -0.04 2.34 2.49 2qv5A1 GLU 201 HG3 0.04 0.06 -0.00 -0.04 2.34 2.40 2qv5A1 VAL 202 H 0.12 0.49 -0.27 -0.55 8.24 8.04 2qv5A1 VAL 202 HA 0.10 -0.02 0.64 -0.75 4.13 4.10 2qv5A1 VAL 202 HB 0.19 0.17 0.03 -0.04 2.12 2.47 2qv5A1 VAL 202 HG13 0.06 -0.01 -0.19 -0.04 0.97 0.78 2qv5A1 VAL 202 HG23 0.11 -0.04 -0.06 -0.04 0.95 0.92 2qv5A1 THR 203 H 0.08 0.32 0.33 -0.55 8.28 8.46 2qv5A1 THR 203 HA 0.13 0.27 0.62 -0.75 4.39 4.65 2qv5A1 THR 203 HB 0.04 -0.03 0.06 -0.04 4.32 4.36 2qv5A1 THR 203 HG23 0.06 -0.03 -0.27 -0.04 1.22 0.93 2qv5A1 LEU 204 H 0.11 0.63 0.36 -0.55 8.37 8.92 2qv5A1 LEU 204 HA -0.02 0.21 1.08 -0.75 4.35 4.87 2qv5A1 LEU 204 HB2 0.20 -0.01 0.08 -0.04 1.64 1.87 2qv5A1 LEU 204 HB3 -0.07 -0.05 -0.00 -0.04 1.64 1.48 2qv5A1 LEU 204 HG -0.17 0.20 -0.15 -0.04 1.64 1.47 2qv5A1 LEU 204 HD13 -0.50 -0.00 -0.07 -0.04 0.93 0.32 2qv5A1 LEU 204 HD23 -0.17 0.00 -0.18 -0.04 0.89 0.50 2qv5A1 GLY 205 H -0.05 0.64 0.17 -0.55 8.43 8.64 2qv5A1 GLY 205 HA2 0.07 0.25 0.85 -0.51 4.01 4.67 2qv5A1 GLY 205 HA3 -0.03 -0.12 0.24 -0.51 4.01 3.59 2qv5A1 PHE 206 H 0.20 0.78 0.37 -0.55 8.34 9.13 2qv5A1 PHE 206 HA -0.10 0.07 0.84 -0.75 4.62 4.68 2qv5A1 PHE 206 HB2 -0.11 0.08 0.12 -0.04 3.15 3.20 2qv5A1 PHE 206 HB3 -0.07 0.08 -0.11 -0.04 3.06 2.92 2qv5A1 PHE 206 HD2 -0.01 0.00 -0.24 -0.04 7.28 6.99 2qv5A1 PHE 206 HE2 0.07 -0.02 -0.20 -0.04 7.38 7.18 2qv5A1 PHE 206 HZ 0.08 0.21 -0.34 -0.04 7.32 7.23 2qv5A1 ALA 207 H -0.15 0.76 0.20 -0.55 8.40 8.67 2qv5A1 ALA 207 HA -0.14 0.02 0.58 -0.75 4.34 4.06 2qv5A1 ALA 207 HB3 -0.20 -0.03 -0.01 -0.04 1.41 1.13 2qv5A1 ALA 208 H -0.08 0.32 0.28 -0.55 8.40 8.37 2qv5A1 ALA 208 HA -0.03 0.13 0.34 -0.75 4.34 4.03 2qv5A1 ALA 208 HB3 -0.04 0.02 0.16 -0.04 1.41 1.51 2qv5A1 SER 209 H -0.06 -0.02 -0.14 -0.55 8.46 7.69 2qv5A1 SER 209 HA -0.02 0.18 0.60 -0.75 4.49 4.50 2qv5A1 SER 209 HB2 -0.02 0.02 0.18 -0.04 3.95 4.10 2qv5A1 SER 209 HB3 -0.02 -0.03 0.09 -0.04 3.93 3.94 2qv5A1 GLY 210 H -0.03 0.38 -0.69 -0.55 8.43 7.54 2qv5A1 GLY 210 HA2 -0.03 0.04 0.19 -0.51 4.01 3.70 2qv5A1 GLY 210 HA3 -0.02 -0.03 0.17 -0.51 4.01 3.62 2qv5A1 ASN 211 H 0.05 0.68 0.31 -0.55 8.53 9.03 2qv5A1 ASN 211 HA 0.04 0.19 0.92 -0.75 4.76 5.15 2qv5A1 ASN 211 HB2 0.07 -0.00 0.08 -0.04 2.88 2.99 2qv5A1 ASN 211 HB3 0.04 -0.07 0.12 -0.04 2.79 2.84 2qv5A1 ASN 211 HD21 0.01 0.03 0.02 -0.04 7.03 7.04 2qv5A1 ASN 211 HD22 0.02 -0.02 0.06 -0.04 7.74 7.76 2qv5A1 SER 212 H 0.02 0.20 0.18 -0.55 8.46 8.32 2qv5A1 SER 212 HA -0.06 0.04 0.36 -0.75 4.49 4.08 2qv5A1 SER 212 HB2 0.08 0.14 0.02 -0.04 3.95 4.15 2qv5A1 SER 212 HB3 -0.41 -0.06 0.24 -0.04 3.93 3.66 2qv5A1 LEU 213 H 0.07 0.19 -0.26 -0.55 8.37 7.82 2qv5A1 LEU 213 HA 0.32 0.05 0.22 -0.75 4.35 4.18 2qv5A1 LEU 213 HB2 0.07 0.06 0.03 -0.04 1.64 1.76 2qv5A1 LEU 213 HB3 0.14 0.06 -0.11 -0.04 1.64 1.70 2qv5A1 LEU 213 HG 0.10 -0.06 -0.39 -0.04 1.64 1.24 2qv5A1 LEU 213 HD13 0.05 0.03 -0.08 -0.04 0.93 0.89 2qv5A1 LEU 213 HD23 0.21 -0.02 -0.12 -0.04 0.89 0.93 2qv5A1 GLN 214 H 0.00 0.09 -0.11 -0.55 8.47 7.91 2qv5A1 GLN 214 HA -0.02 0.13 0.46 -0.75 4.36 4.18 2qv5A1 GLN 214 HB2 -0.03 0.06 0.11 -0.04 2.15 2.25 2qv5A1 GLN 214 HB3 -0.06 -0.05 -0.01 -0.04 2.02 1.87 2qv5A1 GLN 214 HG2 -0.04 -0.01 -0.03 -0.04 2.40 2.27 2qv5A1 GLN 214 HG3 -0.03 0.06 0.04 -0.04 2.39 2.42 2qv5A1 GLN 214 HE21 -0.02 0.02 -0.01 -0.04 6.97 6.92 2qv5A1 GLN 214 HE22 -0.02 0.01 0.01 -0.04 7.69 7.65 2qv5A1 ARG 215 H -0.17 0.03 -0.31 -0.55 8.46 7.46 2qv5A1 ARG 215 HA -0.21 0.08 0.46 -0.75 4.34 3.92 2qv5A1 ARG 215 HB2 -0.38 -0.04 0.11 -0.04 1.90 1.55 2qv5A1 ARG 215 HB3 -0.82 0.13 0.17 -0.04 1.80 1.24 2qv5A1 ARG 215 HG2 -0.78 0.00 -0.22 -0.04 1.67 0.63 2qv5A1 ARG 215 HG3 -0.44 0.01 0.02 -0.04 1.67 1.22 2qv5A1 ARG 215 HD2 -0.68 -0.03 0.01 -0.04 3.22 2.48 2qv5A1 ARG 215 HD3 -2.37 -0.01 -0.04 -0.04 3.22 0.77 2qv5A1 TRP 216 H -0.16 0.54 -0.03 -0.55 7.97 7.77 2qv5A1 TRP 216 HA 0.08 0.04 0.38 -0.75 4.62 4.36 2qv5A1 TRP 216 HB2 0.15 0.06 0.04 -0.04 3.23 3.44 2qv5A1 TRP 216 HB3 -0.04 -0.03 0.02 -0.04 3.23 3.14 2qv5A1 TRP 216 HD1 -0.04 0.10 -0.06 -0.04 7.22 7.18 2qv5A1 TRP 216 HE1 -0.04 -0.04 0.01 -0.04 10.20 10.08 2qv5A1 TRP 216 HE3 0.00 0.04 -0.06 -0.04 7.59 7.54 2qv5A1 TRP 216 HZ2 -0.03 -0.03 0.05 -0.04 7.44 7.39 2qv5A1 TRP 216 HZ3 -0.00 0.07 -0.04 -0.04 7.13 7.11 2qv5A1 TRP 216 HH2 -0.01 0.00 0.01 -0.04 7.19 7.15 2qv5A1 MET 217 H 0.26 0.57 -0.20 -0.55 8.47 8.57 2qv5A1 MET 217 HA -0.16 0.01 0.41 -0.75 4.52 4.02 2qv5A1 MET 217 HB2 -0.02 0.29 0.19 -0.04 2.15 2.57 2qv5A1 MET 217 HB3 -0.04 0.06 0.14 -0.04 2.03 2.15 2qv5A1 MET 217 HG2 -0.26 0.05 0.03 -0.04 2.63 2.40 2qv5A1 MET 217 HG3 -0.28 -0.07 0.02 -0.04 2.56 2.19 2qv5A1 MET 217 HE3 -0.08 0.00 -0.17 -0.04 2.10 1.81 2qv5A1 GLN 218 H 0.02 0.52 -0.09 -0.55 8.47 8.37 2qv5A1 GLN 218 HA 0.01 0.05 0.37 -0.75 4.36 4.04 2qv5A1 GLN 218 HB2 -0.03 0.06 0.16 -0.04 2.15 2.30 2qv5A1 GLN 218 HB3 -0.01 -0.03 0.02 -0.04 2.02 1.96 2qv5A1 GLN 218 HG2 -0.02 -0.01 0.03 -0.04 2.40 2.35 2qv5A1 GLN 218 HG3 -0.03 0.07 0.11 -0.04 2.39 2.50 2qv5A1 GLN 218 HE21 -0.04 -0.06 -0.05 -0.04 6.97 6.78 2qv5A1 GLN 218 HE22 -0.04 0.01 -0.01 -0.04 7.69 7.61 2qv5A1 ASP 219 H 0.09 0.47 -0.12 -0.55 8.40 8.30 2qv5A1 ASP 219 HA 0.10 0.03 0.49 -0.75 4.63 4.49 2qv5A1 ASP 219 HB2 0.33 0.03 0.14 -0.04 2.71 3.17 2qv5A1 ASP 219 HB3 0.24 -0.01 -0.01 -0.04 2.70 2.89 2qv5A1 ALA 220 H 0.25 0.56 -0.13 -0.55 8.40 8.52 2qv5A1 ALA 220 HA 0.28 0.03 0.39 -0.75 4.34 4.29 2qv5A1 ALA 220 HB3 0.23 0.00 0.10 -0.04 1.41 1.70 2qv5A1 ARG 221 H 0.10 0.57 -0.05 -0.55 8.46 8.53 2qv5A1 ARG 221 HA 0.10 0.15 0.40 -0.75 4.34 4.24 2qv5A1 ARG 221 HB2 0.03 0.01 0.09 -0.04 1.90 1.99 2qv5A1 ARG 221 HB3 0.03 -0.02 0.04 -0.04 1.80 1.81 2qv5A1 ARG 221 HG2 -0.02 0.02 0.08 -0.04 1.67 1.71 2qv5A1 ARG 221 HG3 -0.05 -0.07 0.01 -0.04 1.67 1.51 2qv5A1 ARG 221 HD2 0.07 0.18 0.02 -0.04 3.22 3.44 2qv5A1 ARG 221 HD3 -0.01 -0.03 0.06 -0.04 3.22 3.20 2qv5A1 ARG 222 H 0.08 0.42 -0.24 -0.55 8.46 8.17 2qv5A1 ARG 222 HA 0.04 0.00 0.51 -0.75 4.34 4.14 2qv5A1 ARG 222 HB2 0.04 -0.01 0.15 -0.04 1.90 2.05 2qv5A1 ARG 222 HB3 0.07 0.10 0.21 -0.04 1.80 2.15 2qv5A1 ARG 222 HG2 0.05 0.03 -0.22 -0.04 1.67 1.48 2qv5A1 ARG 222 HG3 0.03 -0.03 0.05 -0.04 1.67 1.68 2qv5A1 ARG 222 HD2 0.03 -0.05 0.00 -0.04 3.22 3.16 2qv5A1 ARG 222 HD3 0.04 -0.03 -0.00 -0.04 3.22 3.19 2qv5A1 GLU 223 H 0.13 0.42 -0.14 -0.55 8.60 8.46 2qv5A1 GLU 223 HA 0.04 0.01 0.53 -0.75 4.29 4.12 2qv5A1 GLU 223 HB2 0.23 0.07 0.14 -0.04 2.09 2.49 2qv5A1 GLU 223 HB3 0.02 -0.04 0.12 -0.04 1.99 2.05 2qv5A1 GLU 223 HG2 0.15 0.21 0.11 -0.04 2.34 2.77 2qv5A1 GLU 223 HG3 0.17 0.05 0.03 -0.04 2.34 2.56 2qv5A1 GLY 224 H 0.07 0.20 -0.37 -0.55 8.43 7.79 2qv5A1 GLY 224 HA2 0.03 0.07 0.26 -0.51 4.01 3.87 2qv5A1 GLY 224 HA3 -0.02 0.07 0.70 -0.51 4.01 4.25 2qv5A1 HIS 225 H 0.10 0.29 0.04 -0.55 8.41 8.30 2qv5A1 HIS 225 HA 0.07 0.37 0.53 -0.75 4.63 4.84 2qv5A1 HIS 225 HB2 0.10 -0.15 -0.05 -0.04 3.26 3.12 2qv5A1 HIS 225 HB3 0.09 0.04 0.04 -0.04 3.20 3.32 2qv5A1 HIS 225 HD2 0.09 0.09 0.15 -0.04 6.97 7.26 2qv5A1 HIS 225 HE1 0.04 0.04 -0.41 -0.04 7.75 7.37 2qv5A1 GLU 226 H 0.14 0.15 0.19 -0.55 8.60 8.54 2qv5A1 GLU 226 HA 0.11 0.32 0.81 -0.75 4.29 4.77 2qv5A1 GLU 226 HB2 0.09 0.04 0.25 -0.04 2.09 2.44 2qv5A1 GLU 226 HB3 0.09 -0.18 0.11 -0.04 1.99 1.97 2qv5A1 GLU 226 HG2 0.09 -0.04 0.02 -0.04 2.34 2.37 2qv5A1 GLU 226 HG3 0.10 0.42 0.21 -0.04 2.34 3.03 2qv5A1 ILE 227 H 0.08 0.30 0.24 -0.55 8.25 8.32 2qv5A1 ILE 227 HA 0.11 0.00 1.00 -0.75 4.18 4.53 2qv5A1 ILE 227 HB -0.03 0.00 0.10 -0.04 1.89 1.92 2qv5A1 ILE 227 HG12 -0.39 -0.03 -0.07 -0.04 1.49 0.96 2qv5A1 ILE 227 HG13 0.16 0.00 -0.03 -0.04 1.21 1.29 2qv5A1 ILE 227 HG23 -0.22 -0.05 -0.24 -0.04 0.93 0.38 2qv5A1 ILE 227 HD13 0.11 -0.01 -0.43 -0.04 0.88 0.51 2qv5A1 LEU 228 H 0.10 0.80 0.36 -0.55 8.37 9.08 2qv5A1 LEU 228 HA 0.07 0.18 0.85 -0.75 4.35 4.69 2qv5A1 LEU 228 HB2 0.01 -0.09 -0.13 -0.04 1.64 1.40 2qv5A1 LEU 228 HB3 -0.02 0.04 -0.22 -0.04 1.64 1.39 2qv5A1 LEU 228 HG 0.04 -0.05 -0.39 -0.04 1.64 1.20 2qv5A1 LEU 228 HD13 -0.01 -0.01 -0.29 -0.04 0.93 0.58 2qv5A1 LEU 228 HD23 0.05 0.00 -0.24 -0.04 0.89 0.66 2qv5A1 LEU 229 H -0.15 0.63 0.31 -0.55 8.37 8.60 2qv5A1 LEU 229 HA -0.17 0.14 0.93 -0.75 4.35 4.50 2qv5A1 LEU 229 HB2 -1.12 0.05 -0.01 -0.04 1.64 0.52 2qv5A1 LEU 229 HB3 -0.46 -0.01 0.11 -0.04 1.64 1.23 2qv5A1 LEU 229 HG -0.20 -0.06 -0.40 -0.04 1.64 0.94 2qv5A1 LEU 229 HD13 -0.19 0.02 -0.08 -0.04 0.93 0.64 2qv5A1 LEU 229 HD23 -0.37 0.03 -0.26 -0.04 0.89 0.25 2qv5A1 GLN 230 H -0.07 0.79 0.27 -0.55 8.47 8.91 2qv5A1 GLN 230 HA -0.08 0.20 0.78 -0.75 4.36 4.51 2qv5A1 GLN 230 HB2 -0.10 0.01 0.02 -0.04 2.15 2.04 2qv5A1 GLN 230 HB3 -0.04 -0.04 -0.19 -0.04 2.02 1.70 2qv5A1 GLN 230 HG2 -0.04 0.09 -0.23 -0.04 2.40 2.18 2qv5A1 GLN 230 HG3 -0.05 -0.03 -0.25 -0.04 2.39 2.02 2qv5A1 GLN 230 HE21 -0.08 -0.07 -0.06 -0.04 6.97 6.71 2qv5A1 GLN 230 HE22 0.01 0.15 -0.09 -0.04 7.69 7.71 2qv5A1 ILE 231 H -0.07 0.68 0.30 -0.55 8.25 8.61 2qv5A1 ILE 231 HA -0.05 0.21 0.76 -0.75 4.18 4.34 2qv5A1 ILE 231 HB -0.06 -0.07 0.07 -0.04 1.89 1.79 2qv5A1 ILE 231 HG12 -0.08 0.03 -0.12 -0.04 1.49 1.28 2qv5A1 ILE 231 HG13 -0.02 0.00 -0.07 -0.04 1.21 1.09 2qv5A1 ILE 231 HG23 -0.07 0.02 -0.15 -0.04 0.93 0.70 2qv5A1 ILE 231 HD13 -0.05 0.04 -0.16 -0.04 0.88 0.67 2qv5A1 PRO 232 HA 0.12 0.06 0.59 -0.51 4.44 4.70 2qv5A1 PRO 232 HB2 0.02 -0.02 -0.11 -0.04 2.28 2.13 2qv5A1 PRO 232 HB3 0.13 0.01 0.01 -0.04 2.02 2.12 2qv5A1 PRO 232 HG2 -0.03 0.19 -0.20 -0.04 2.03 1.96 2qv5A1 PRO 232 HG3 0.00 0.02 -0.09 -0.04 2.03 1.92 2qv5A1 PRO 232 HD2 -0.03 0.18 0.23 -0.04 3.68 4.01 2qv5A1 PRO 232 HD3 -0.02 0.11 0.23 -0.04 3.65 3.93 2qv5A1 LEU 233 H -0.09 0.57 0.37 -0.55 8.37 8.68 2qv5A1 LEU 233 HA -0.35 0.18 0.96 -0.75 4.35 4.38 2qv5A1 LEU 233 HB2 -0.11 -0.06 -0.11 -0.04 1.64 1.31 2qv5A1 LEU 233 HB3 -0.29 -0.08 0.05 -0.04 1.64 1.28 2qv5A1 LEU 233 HG -0.12 0.17 -0.20 -0.04 1.64 1.45 2qv5A1 LEU 233 HD13 0.09 -0.02 -0.11 -0.04 0.93 0.86 2qv5A1 LEU 233 HD23 -0.57 0.05 -0.13 -0.04 0.89 0.20 2qv5A1 GLU 234 H -0.20 0.34 0.23 -0.55 8.60 8.42 2qv5A1 GLU 234 HA -0.20 0.16 0.31 -0.75 4.29 3.81 2qv5A1 GLU 234 HB2 -0.17 0.26 0.31 -0.04 2.09 2.45 2qv5A1 GLU 234 HB3 -0.02 -0.21 0.22 -0.04 1.99 1.95 2qv5A1 GLU 234 HG2 -0.14 0.24 -0.04 -0.04 2.34 2.36 2qv5A1 GLU 234 HG3 -0.72 0.06 0.05 -0.04 2.34 1.70 2qv5A1 PRO 235 HA -0.15 -0.20 0.77 -0.51 4.44 4.36 2qv5A1 PRO 235 HB2 0.03 -0.07 0.14 -0.04 2.28 2.34 2qv5A1 PRO 235 HB3 -0.07 -0.01 0.20 -0.04 2.02 2.09 2qv5A1 PRO 235 HG2 0.12 0.08 -0.04 -0.04 2.03 2.14 2qv5A1 PRO 235 HG3 0.03 0.11 0.02 -0.04 2.03 2.15 2qv5A1 PRO 235 HD2 0.05 0.15 0.23 -0.04 3.68 4.07 2qv5A1 PRO 235 HD3 -0.04 0.31 0.26 -0.04 3.65 4.14 2qv5A1 PHE 236 H 0.07 0.11 0.18 -0.55 8.34 8.15 2qv5A1 PHE 236 HA 0.04 0.16 0.56 -0.75 4.62 4.63 2qv5A1 PHE 236 HB2 0.02 -0.04 0.13 -0.04 3.15 3.22 2qv5A1 PHE 236 HB3 0.02 0.11 0.03 -0.04 3.06 3.18 2qv5A1 PHE 236 HD2 0.02 0.01 0.03 -0.04 7.28 7.30 2qv5A1 PHE 236 HE2 0.01 0.02 -0.03 -0.04 7.38 7.34 2qv5A1 PHE 236 HZ 0.01 0.06 -0.05 -0.04 7.32 7.30 2qv5A1 GLY 237 H 0.14 -0.02 -0.17 -0.55 8.43 7.83 2qv5A1 GLY 237 HA2 0.10 0.24 0.52 -0.51 4.01 4.36 2qv5A1 GLY 237 HA3 0.09 -0.01 0.33 -0.51 4.01 3.90 2qv5A1 TYR 238 H 0.21 0.26 -0.55 -0.55 8.29 7.65 2qv5A1 TYR 238 HA 0.02 0.12 0.48 -0.75 4.56 4.42 2qv5A1 TYR 238 HB2 0.00 -0.00 0.06 -0.04 3.06 3.08 2qv5A1 TYR 238 HB3 0.02 0.01 0.04 -0.04 2.98 3.01 2qv5A1 TYR 238 HD2 0.01 0.08 -0.04 -0.04 7.15 7.16 2qv5A1 TYR 238 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.79 2qv5A1 PRO 239 HA -1.17 0.07 0.21 -0.51 4.44 3.04 2qv5A1 PRO 239 HB2 -0.39 0.05 0.04 -0.04 2.28 1.94 2qv5A1 PRO 239 HB3 -0.91 0.02 0.04 -0.04 2.02 1.12 2qv5A1 PRO 239 HG2 -0.15 0.04 -0.02 -0.04 2.03 1.86 2qv5A1 PRO 239 HG3 -0.15 0.03 0.03 -0.04 2.03 1.90 2qv5A1 PRO 239 HD2 -0.08 0.05 0.10 -0.04 3.68 3.71 2qv5A1 PRO 239 HD3 -0.04 0.18 0.47 -0.04 3.65 4.22 2qv5A1 GLY 240 H -0.09 0.18 -0.07 -0.55 8.43 7.90 2qv5A1 GLY 240 HA2 -0.06 0.04 0.50 -0.51 4.01 3.98 2qv5A1 GLY 240 HA3 -0.03 0.01 0.32 -0.51 4.01 3.81 2qv5A1 THR 241 H 0.01 0.81 0.01 -0.55 8.28 8.56 2qv5A1 THR 241 HA 0.02 0.14 0.76 -0.75 4.39 4.56 2qv5A1 THR 241 HB 0.07 -0.17 -0.03 -0.04 4.32 4.15 2qv5A1 THR 241 HG23 0.04 -0.01 -0.12 -0.04 1.22 1.09 2qv5A1 ASN 242 H 0.03 0.28 -0.03 -0.55 8.53 8.26 2qv5A1 ASN 242 HA 0.20 0.17 0.90 -0.75 4.76 5.27 2qv5A1 ASN 242 HB2 -0.11 0.23 -0.16 -0.04 2.88 2.80 2qv5A1 ASN 242 HB3 0.01 0.01 0.09 -0.04 2.79 2.85 2qv5A1 ASN 242 HD21 0.06 0.02 -0.09 -0.04 7.03 6.98 2qv5A1 ASN 242 HD22 -0.04 0.05 -0.04 -0.04 7.74 7.67 2qv5A1 PRO 243 HA 0.16 0.09 0.49 -0.51 4.44 4.66 2qv5A1 PRO 243 HB2 0.12 0.03 -0.09 -0.04 2.28 2.30 2qv5A1 PRO 243 HB3 0.33 -0.03 0.05 -0.04 2.02 2.33 2qv5A1 PRO 243 HG2 0.02 0.08 -0.03 -0.04 2.03 2.07 2qv5A1 PRO 243 HG3 0.04 -0.04 -0.03 -0.04 2.03 1.96 2qv5A1 PRO 243 HD2 0.17 0.14 0.14 -0.04 3.68 4.09 2qv5A1 PRO 243 HD3 0.17 0.25 0.05 -0.04 3.65 4.08 2qv5A1 GLY 244 H 0.11 0.15 -0.24 -0.55 8.43 7.90 2qv5A1 GLY 244 HA2 0.05 0.10 0.19 -0.51 4.01 3.84 2qv5A1 GLY 244 HA3 0.04 0.17 0.75 -0.51 4.01 4.46 2qv5A1 PRO 245 HA 0.05 0.12 0.49 -0.51 4.44 4.59 2qv5A1 PRO 245 HB2 0.02 0.07 -0.01 -0.04 2.28 2.32 2qv5A1 PRO 245 HB3 0.03 0.03 0.10 -0.04 2.02 2.13 2qv5A1 PRO 245 HG2 0.01 0.06 0.06 -0.04 2.03 2.12 2qv5A1 PRO 245 HG3 0.02 0.07 0.07 -0.04 2.03 2.15 2qv5A1 PRO 245 HD2 0.02 0.14 0.22 -0.04 3.68 4.02 2qv5A1 PRO 245 HD3 0.02 0.14 0.17 -0.04 3.65 3.95 2qv5A1 ASP 246 H 0.01 0.10 -0.21 -0.55 8.40 7.75 2qv5A1 ASP 246 HA -0.01 0.21 0.64 -0.75 4.63 4.72 2qv5A1 ASP 246 HB2 -0.00 -0.05 0.01 -0.04 2.71 2.63 2qv5A1 ASP 246 HB3 -0.01 0.06 0.12 -0.04 2.70 2.83 2qv5A1 THR 247 H 0.01 0.18 -0.67 -0.55 8.28 7.25 2qv5A1 THR 247 HA -0.08 0.17 0.33 -0.75 4.39 4.06 2qv5A1 THR 247 HB -0.04 0.02 -0.06 -0.04 4.32 4.20 2qv5A1 THR 247 HG23 -0.12 -0.01 -0.37 -0.04 1.22 0.68 2qv5A1 LEU 248 H -0.24 0.50 0.29 -0.55 8.37 8.37 2qv5A1 LEU 248 HA -0.13 0.11 0.59 -0.75 4.35 4.15 2qv5A1 LEU 248 HB2 -0.73 -0.05 0.19 -0.04 1.64 1.01 2qv5A1 LEU 248 HB3 -0.67 -0.02 -0.01 -0.04 1.64 0.90 2qv5A1 LEU 248 HG -0.12 0.00 0.08 -0.04 1.64 1.56 2qv5A1 LEU 248 HD13 -0.13 0.04 -0.05 -0.04 0.93 0.75 2qv5A1 LEU 248 HD23 -0.17 -0.01 -0.04 -0.04 0.89 0.63 2qv5A1 LEU 249 H 0.03 0.24 0.16 -0.55 8.37 8.25 2qv5A1 LEU 249 HA -0.02 0.07 0.91 -0.75 4.35 4.56 2qv5A1 LEU 249 HB2 -0.01 -0.01 0.08 -0.04 1.64 1.65 2qv5A1 LEU 249 HB3 -0.08 -0.07 0.02 -0.04 1.64 1.47 2qv5A1 LEU 249 HG -0.12 0.24 -0.19 -0.04 1.64 1.53 2qv5A1 LEU 249 HD13 -0.00 0.01 -0.04 -0.04 0.93 0.86 2qv5A1 LEU 249 HD23 -0.64 0.01 -0.17 -0.04 0.89 0.05 2qv5A1 ALA 250 H 0.07 0.13 0.13 -0.55 8.40 8.19 2qv5A1 ALA 250 HA -0.18 0.10 0.32 -0.75 4.34 3.83 2qv5A1 ALA 250 HB3 -0.09 0.00 0.01 -0.04 1.41 1.29 2qv5A1 GLY 251 H -0.00 -0.01 -0.23 -0.55 8.43 7.65 2qv5A1 GLY 251 HA2 -0.02 0.12 0.43 -0.51 4.01 4.04 2qv5A1 GLY 251 HA3 0.00 -0.01 0.23 -0.51 4.01 3.72 2qv5A1 ASP 252 H 0.02 0.12 -0.30 -0.55 8.40 7.70 2qv5A1 ASP 252 HA 0.01 0.10 0.50 -0.75 4.63 4.48 2qv5A1 ASP 252 HB2 0.03 0.04 0.11 -0.04 2.71 2.84 2qv5A1 ASP 252 HB3 0.02 0.03 0.01 -0.04 2.70 2.72 2qv5A1 PRO 253 HA -0.00 0.17 0.54 -0.51 4.44 4.64 2qv5A1 PRO 253 HB2 -0.00 -0.09 0.06 -0.04 2.28 2.21 2qv5A1 PRO 253 HB3 -0.00 0.11 0.14 -0.04 2.02 2.23 2qv5A1 PRO 253 HG2 0.00 -0.13 0.08 -0.04 2.03 1.94 2qv5A1 PRO 253 HG3 0.00 0.11 0.09 -0.04 2.03 2.19 2qv5A1 PRO 253 HD2 0.01 0.05 0.23 -0.04 3.68 3.93 2qv5A1 PRO 253 HD3 0.01 0.21 0.21 -0.04 3.65 4.04 2qv5A1 ALA 254 H -0.00 0.19 0.18 -0.55 8.40 8.22 2qv5A1 ALA 254 HA 0.01 0.13 0.34 -0.75 4.34 4.07 2qv5A1 ALA 254 HB3 -0.00 0.04 0.13 -0.04 1.41 1.53 2qv5A1 LYS 255 H -0.01 0.10 -0.15 -0.55 8.42 7.81 2qv5A1 LYS 255 HA -0.03 0.10 0.33 -0.75 4.32 3.96 2qv5A1 LYS 255 HB2 -0.01 0.07 0.07 -0.04 1.87 1.96 2qv5A1 LYS 255 HB3 -0.01 -0.02 0.09 -0.04 1.79 1.82 2qv5A1 LYS 255 HG2 -0.00 -0.04 -0.06 -0.04 1.46 1.32 2qv5A1 LYS 255 HG3 -0.01 0.04 -0.42 -0.04 1.46 1.03 2qv5A1 LYS 255 HD2 -0.00 0.02 -0.01 -0.04 1.69 1.66 2qv5A1 LYS 255 HD3 0.00 0.01 -0.02 -0.04 1.68 1.62 2qv5A1 LYS 255 HE2 0.00 0.01 -0.06 -0.04 2.99 2.90 2qv5A1 LYS 255 HE3 0.00 0.02 -0.03 -0.04 2.99 2.95 2qv5A1 VAL 256 H -0.00 0.27 -0.25 -0.55 8.24 7.70 2qv5A1 VAL 256 HA -0.01 0.10 0.53 -0.75 4.13 3.99 2qv5A1 VAL 256 HB 0.00 0.11 0.10 -0.04 2.12 2.30 2qv5A1 VAL 256 HG13 0.00 0.00 -0.07 -0.04 0.97 0.87 2qv5A1 VAL 256 HG23 0.00 -0.01 0.02 -0.04 0.95 0.92 2qv5A1 ASN 257 H 0.01 0.40 -0.10 -0.55 8.53 8.28 2qv5A1 ASN 257 HA -0.02 0.06 0.55 -0.75 4.76 4.60 2qv5A1 ASN 257 HB2 0.06 0.13 0.08 -0.04 2.88 3.11 2qv5A1 ASN 257 HB3 0.07 -0.02 -0.02 -0.04 2.79 2.77 2qv5A1 ASN 257 HD21 0.23 0.49 0.06 -0.04 7.03 7.77 2qv5A1 ASN 257 HD22 0.18 0.05 -0.05 -0.04 7.74 7.88 2qv5A1 ILE 258 H -0.05 0.52 -0.10 -0.55 8.25 8.07 2qv5A1 ILE 258 HA -0.14 0.04 0.45 -0.75 4.18 3.77 2qv5A1 ILE 258 HB -0.13 0.03 0.08 -0.04 1.89 1.82 2qv5A1 ILE 258 HG12 -0.03 0.20 0.02 -0.04 1.49 1.63 2qv5A1 ILE 258 HG13 -0.04 -0.04 -0.09 -0.04 1.21 1.00 2qv5A1 ILE 258 HG23 -0.41 0.00 -0.08 -0.04 0.93 0.41 2qv5A1 ILE 258 HD13 -0.01 -0.01 -0.16 -0.04 0.88 0.66 2qv5A1 ASP 259 H -0.10 0.39 -0.25 -0.55 8.40 7.90 2qv5A1 ASP 259 HA -0.09 0.05 0.49 -0.75 4.63 4.33 2qv5A1 ASP 259 HB2 -0.03 0.12 0.17 -0.04 2.71 2.93 2qv5A1 ASP 259 HB3 -0.01 -0.03 -0.00 -0.04 2.70 2.62 2qv5A1 ARG 260 H -0.04 0.34 -0.25 -0.55 8.46 7.96 2qv5A1 ARG 260 HA -0.01 0.02 0.45 -0.75 4.34 4.06 2qv5A1 ARG 260 HB2 -0.04 0.06 0.16 -0.04 1.90 2.04 2qv5A1 ARG 260 HB3 -0.04 0.14 -0.11 -0.04 1.80 1.75 2qv5A1 ARG 260 HG2 -0.01 -0.03 0.02 -0.04 1.67 1.60 2qv5A1 ARG 260 HG3 -0.01 0.04 0.05 -0.04 1.67 1.70 2qv5A1 ARG 260 HD2 -0.03 -0.12 -0.08 -0.04 3.22 2.95 2qv5A1 ARG 260 HD3 -0.04 0.13 -0.40 -0.04 3.22 2.86 2qv5A1 LEU 261 H -0.05 0.54 -0.11 -0.55 8.37 8.21 2qv5A1 LEU 261 HA 0.00 -0.01 0.47 -0.75 4.35 4.07 2qv5A1 LEU 261 HB2 -0.01 0.00 0.12 -0.04 1.64 1.70 2qv5A1 LEU 261 HB3 -0.05 0.16 0.19 -0.04 1.64 1.90 2qv5A1 LEU 261 HG 0.17 0.03 -0.26 -0.04 1.64 1.54 2qv5A1 LEU 261 HD13 0.05 -0.03 -0.01 -0.04 0.93 0.90 2qv5A1 LEU 261 HD23 0.08 -0.01 -0.02 -0.04 0.89 0.90 2qv5A1 HIS 262 H 0.03 0.56 -0.17 -0.55 8.41 8.28 2qv5A1 HIS 262 HA 0.03 0.01 0.37 -0.75 4.63 4.29 2qv5A1 HIS 262 HB2 0.02 0.08 0.15 -0.04 3.26 3.47 2qv5A1 HIS 262 HB3 0.02 -0.02 -0.02 -0.04 3.20 3.14 2qv5A1 HIS 262 HD2 0.03 -0.08 -0.10 -0.04 6.97 6.77 2qv5A1 HIS 262 HE1 0.02 -0.03 -0.04 -0.04 7.75 7.65 2qv5A1 ARG 263 H 0.08 0.42 -0.29 -0.55 8.46 8.11 2qv5A1 ARG 263 HA 0.05 0.05 0.50 -0.75 4.34 4.18 2qv5A1 ARG 263 HB2 0.02 0.15 0.18 -0.04 1.90 2.21 2qv5A1 ARG 263 HB3 0.02 -0.06 -0.00 -0.04 1.80 1.71 2qv5A1 ARG 263 HG2 0.04 -0.03 0.03 -0.04 1.67 1.66 2qv5A1 ARG 263 HG3 0.04 0.23 0.07 -0.04 1.67 1.96 2qv5A1 ARG 263 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.16 2qv5A1 ARG 263 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.14 2qv5A1 SER 264 H 0.03 0.41 -0.14 -0.55 8.46 8.21 2qv5A1 SER 264 HA -0.01 0.04 0.50 -0.75 4.49 4.27 2qv5A1 SER 264 HB2 -0.00 0.15 0.19 -0.04 3.95 4.24 2qv5A1 SER 264 HB3 -0.04 -0.08 0.00 -0.04 3.93 3.76 2qv5A1 MET 265 H 0.06 0.57 -0.08 -0.55 8.47 8.46 2qv5A1 MET 265 HA 0.04 -0.06 0.30 -0.75 4.52 4.04 2qv5A1 MET 265 HB2 0.09 0.07 0.11 -0.04 2.15 2.39 2qv5A1 MET 265 HB3 0.12 0.01 -0.01 -0.04 2.03 2.11 2qv5A1 MET 265 HG2 0.18 -0.07 -0.01 -0.04 2.63 2.68 2qv5A1 MET 265 HG3 0.11 0.07 -0.05 -0.04 2.56 2.66 2qv5A1 MET 265 HE3 0.15 -0.02 -0.12 -0.04 2.10 2.07 2qv5A1 ALA 266 H 0.04 0.31 -0.55 -0.55 8.40 7.66 2qv5A1 ALA 266 HA 0.04 0.20 0.31 -0.75 4.34 4.13 2qv5A1 ALA 266 HB3 0.02 0.01 -0.03 -0.04 1.41 1.38 2qv5A1 LYS 267 H 0.01 0.45 -0.36 -0.55 8.42 7.97 2qv5A1 LYS 267 HA 0.01 0.04 0.43 -0.75 4.32 4.05 2qv5A1 LYS 267 HB2 -0.01 0.18 0.16 -0.04 1.87 2.16 2qv5A1 LYS 267 HB3 0.00 -0.14 0.04 -0.04 1.79 1.66 2qv5A1 LYS 267 HG2 0.01 -0.10 0.04 -0.04 1.46 1.36 2qv5A1 LYS 267 HG3 0.01 0.19 0.06 -0.04 1.46 1.68 2qv5A1 LYS 267 HD2 -0.01 -0.05 0.12 -0.04 1.69 1.72 2qv5A1 LYS 267 HD3 0.00 0.06 0.12 -0.04 1.68 1.82 2qv5A1 LYS 267 HE2 0.01 -0.08 0.01 -0.04 2.99 2.89 2qv5A1 LYS 267 HE3 0.01 0.06 -0.08 -0.04 2.99 2.93 2qv5A1 ILE 268 H 0.01 0.29 -0.12 -0.55 8.25 7.88 2qv5A1 ILE 268 HA -0.02 0.11 0.54 -0.75 4.18 4.05 2qv5A1 ILE 268 HB -0.13 0.04 0.08 -0.04 1.89 1.84 2qv5A1 ILE 268 HG12 -0.18 -0.03 -0.13 -0.04 1.49 1.10 2qv5A1 ILE 268 HG13 -0.07 0.08 -0.30 -0.04 1.21 0.87 2qv5A1 ILE 268 HG23 -0.06 -0.03 -0.24 -0.04 0.93 0.56 2qv5A1 ILE 268 HD13 -0.36 -0.01 -0.20 -0.04 0.88 0.26 2qv5A1 THR 269 H -0.06 0.19 0.12 -0.55 8.28 7.98 2qv5A1 THR 269 HA -0.05 0.22 0.71 -0.75 4.39 4.53 2qv5A1 THR 269 HB -0.06 0.06 -0.07 -0.04 4.32 4.21 2qv5A1 THR 269 HG23 -0.10 0.01 -0.09 -0.04 1.22 0.99 2qv5A1 ASN 270 H -0.57 0.19 0.13 -0.55 8.53 7.73 2qv5A1 ASN 270 HA -2.06 0.06 0.30 -0.75 4.76 2.31 2qv5A1 ASN 270 HB2 -0.31 0.10 -0.23 -0.04 2.88 2.40 2qv5A1 ASN 270 HB3 -0.45 0.07 0.16 -0.04 2.79 2.53 2qv5A1 ASN 270 HD21 -0.01 -0.01 -0.03 -0.04 7.03 6.94 2qv5A1 ASN 270 HD22 -0.07 0.05 -0.02 -0.04 7.74 7.66 2qv5A1 TYR 271 H -0.58 0.05 -0.18 -0.55 8.29 7.03 2qv5A1 TYR 271 HA -0.08 0.22 0.90 -0.75 4.56 4.85 2qv5A1 TYR 271 HB2 -0.05 -0.07 -0.03 -0.04 3.06 2.87 2qv5A1 TYR 271 HB3 -0.15 0.01 -0.28 -0.04 2.98 2.52 2qv5A1 TYR 271 HD2 -0.09 0.01 -0.36 -0.04 7.15 6.67 2qv5A1 TYR 271 HE2 -0.04 0.20 -0.14 -0.04 6.85 6.83 2qv5A1 THR 272 H 0.15 0.43 0.28 -0.55 8.28 8.59 2qv5A1 THR 272 HA 0.12 0.21 0.31 -0.75 4.39 4.28 2qv5A1 THR 272 HB 0.08 -0.04 0.03 -0.04 4.32 4.35 2qv5A1 THR 272 HG23 0.12 0.03 -0.22 -0.04 1.22 1.11 2qv5A1 GLY 273 H 0.22 0.18 0.10 -0.55 8.43 8.38 2qv5A1 GLY 273 HA2 0.15 0.13 0.47 -0.51 4.01 4.24 2qv5A1 GLY 273 HA3 0.08 0.04 0.35 -0.51 4.01 3.98 2qv5A1 VAL 274 H 0.03 0.69 0.33 -0.55 8.24 8.73 2qv5A1 VAL 274 HA -0.07 0.21 1.08 -0.75 4.13 4.60 2qv5A1 VAL 274 HB -0.08 0.04 0.10 -0.04 2.12 2.13 2qv5A1 VAL 274 HG13 0.08 0.01 -0.14 -0.04 0.97 0.87 2qv5A1 VAL 274 HG23 -0.03 0.01 -0.09 -0.04 0.95 0.79 2qv5A1 MET 275 H -0.15 0.62 0.31 -0.55 8.47 8.71 2qv5A1 MET 275 HA -0.45 0.31 0.77 -0.75 4.52 4.40 2qv5A1 MET 275 HB2 -0.13 -0.00 0.07 -0.04 2.15 2.04 2qv5A1 MET 275 HB3 -0.14 -0.00 -0.09 -0.04 2.03 1.76 2qv5A1 MET 275 HG2 -0.08 -0.00 -0.31 -0.04 2.63 2.20 2qv5A1 MET 275 HG3 -0.07 -0.03 -0.25 -0.04 2.56 2.17 2qv5A1 MET 275 HE3 -0.03 0.02 -0.12 -0.04 2.10 1.92 2qv5A1 ASN 276 H -0.25 0.19 0.22 -0.55 8.53 8.15 2qv5A1 ASN 276 HA -0.07 0.21 0.62 -0.75 4.76 4.76 2qv5A1 ASN 276 HB2 -0.00 0.11 -0.13 -0.04 2.88 2.82 2qv5A1 ASN 276 HB3 0.01 0.01 0.06 -0.04 2.79 2.83 2qv5A1 ASN 276 HD21 0.03 -0.25 0.01 -0.04 7.03 6.77 2qv5A1 ASN 276 HD22 -0.00 0.68 -0.08 -0.04 7.74 8.30 2qv5A1 TYR 277 H 0.05 0.78 0.17 -0.55 8.29 8.74 2qv5A1 TYR 277 HA -0.05 0.09 0.60 -0.75 4.56 4.45 2qv5A1 TYR 277 HB2 -0.06 0.00 -0.11 -0.04 3.06 2.85 2qv5A1 TYR 277 HB3 -0.06 0.00 -0.13 -0.04 2.98 2.75 2qv5A1 TYR 277 HD2 -0.04 -0.00 -0.02 -0.04 7.15 7.05 2qv5A1 TYR 277 HE2 -0.02 0.02 -0.04 -0.04 6.85 6.77 2qv5A1 LEU 278 H -0.27 0.13 -0.05 -0.55 8.37 7.65 2qv5A1 LEU 278 HA -0.21 0.01 0.25 -0.75 4.35 3.66 2qv5A1 LEU 278 HB2 -0.33 0.35 0.25 -0.04 1.64 1.87 2qv5A1 LEU 278 HB3 -0.21 -0.19 0.20 -0.04 1.64 1.40 2qv5A1 LEU 278 HG -1.66 -0.04 -0.24 -0.04 1.64 -0.34 2qv5A1 LEU 278 HD13 -0.24 0.02 -0.04 -0.04 0.93 0.63 2qv5A1 LEU 278 HD23 -0.28 -0.00 0.01 -0.04 0.89 0.57 2qv5A1 GLY 279 H -0.14 0.20 -0.03 -0.55 8.43 7.91 2qv5A1 GLY 279 HA2 -0.06 0.07 -0.20 -0.51 4.01 3.31 2qv5A1 GLY 279 HA3 -0.01 0.15 0.31 -0.51 4.01 3.94 2qv5A1 GLY 280 H -0.12 -0.00 -0.06 -0.55 8.43 7.70 2qv5A1 GLY 280 HA2 -0.08 0.06 0.28 -0.51 4.01 3.76 2qv5A1 GLY 280 HA3 -0.27 -0.02 0.30 -0.51 4.01 3.51 2qv5A1 ARG 281 H -0.53 0.12 -0.14 -0.55 8.46 7.36 2qv5A1 ARG 281 HA -0.69 0.13 0.53 -0.75 4.34 3.56 2qv5A1 ARG 281 HB2 -0.43 -0.00 -0.16 -0.04 1.90 1.27 2qv5A1 ARG 281 HB3 -0.22 0.11 -0.16 -0.04 1.80 1.49 2qv5A1 ARG 281 HG2 -0.05 0.02 -0.06 -0.04 1.67 1.53 2qv5A1 ARG 281 HG3 -0.10 -0.05 -0.27 -0.04 1.67 1.22 2qv5A1 ARG 281 HD2 0.01 0.01 -0.04 -0.04 3.22 3.16 2qv5A1 ARG 281 HD3 -0.03 -0.01 0.01 -0.04 3.22 3.15 2qv5A1 PHE 282 H -0.01 0.35 -0.11 -0.55 8.34 8.01 2qv5A1 PHE 282 HA -0.10 0.03 0.26 -0.75 4.62 4.06 2qv5A1 PHE 282 HB2 -0.12 -0.09 0.16 -0.04 3.15 3.05 2qv5A1 PHE 282 HB3 -0.07 0.03 0.04 -0.04 3.06 3.02 2qv5A1 PHE 282 HD2 -0.05 -0.08 -0.30 -0.04 7.28 6.81 2qv5A1 PHE 282 HE2 -0.03 0.08 -0.32 -0.04 7.38 7.06 2qv5A1 PHE 282 HZ -0.03 0.16 -0.15 -0.04 7.32 7.26 2qv5A1 LEU 283 H 0.06 0.67 -0.14 -0.55 8.37 8.42 2qv5A1 LEU 283 HA 0.08 0.07 0.30 -0.75 4.35 4.05 2qv5A1 LEU 283 HB2 0.07 0.10 -0.01 -0.04 1.64 1.76 2qv5A1 LEU 283 HB3 0.11 -0.20 0.07 -0.04 1.64 1.58 2qv5A1 LEU 283 HG 0.17 0.05 0.04 -0.04 1.64 1.85 2qv5A1 LEU 283 HD13 0.12 -0.02 -0.07 -0.04 0.93 0.92 2qv5A1 LEU 283 HD23 0.28 -0.01 -0.04 -0.04 0.89 1.08 2qv5A1 ALA 284 H -0.05 0.30 -0.46 -0.55 8.40 7.65 2qv5A1 ALA 284 HA 0.01 0.21 0.62 -0.75 4.34 4.42 2qv5A1 ALA 284 HB3 0.04 0.01 0.05 -0.04 1.41 1.46 2qv5A1 GLU 285 H -0.16 0.40 -0.42 -0.55 8.60 7.88 2qv5A1 GLU 285 HA -0.09 0.16 0.93 -0.75 4.29 4.54 2qv5A1 GLU 285 HB2 -0.34 0.07 0.22 -0.04 2.09 2.00 2qv5A1 GLU 285 HB3 -0.18 -0.05 0.06 -0.04 1.99 1.77 2qv5A1 GLU 285 HG2 -0.11 0.14 -0.14 -0.04 2.34 2.19 2qv5A1 GLU 285 HG3 -0.13 -0.08 -0.05 -0.04 2.34 2.03 2qv5A1 GLN 286 H -0.08 0.29 0.13 -0.55 8.47 8.27 2qv5A1 GLN 286 HA -0.09 0.04 0.29 -0.75 4.36 3.85 2qv5A1 GLN 286 HB2 -0.04 0.07 0.11 -0.04 2.15 2.25 2qv5A1 GLN 286 HB3 -0.05 -0.01 0.18 -0.04 2.02 2.10 2qv5A1 GLN 286 HG2 -0.04 0.04 -0.03 -0.04 2.40 2.33 2qv5A1 GLN 286 HG3 -0.05 -0.01 -0.31 -0.04 2.39 1.98 2qv5A1 GLN 286 HE21 -0.03 0.05 -0.03 -0.04 6.97 6.92 2qv5A1 GLN 286 HE22 -0.03 0.01 -0.05 -0.04 7.69 7.58 2qv5A1 SER 287 H -0.09 0.11 -0.09 -0.55 8.46 7.84 2qv5A1 SER 287 HA -0.07 0.09 0.37 -0.75 4.49 4.13 2qv5A1 SER 287 HB2 -0.05 0.04 0.08 -0.04 3.95 3.98 2qv5A1 SER 287 HB3 -0.05 -0.01 0.09 -0.04 3.93 3.92 2qv5A1 ALA 288 H -0.23 0.18 -0.37 -0.55 8.40 7.43 2qv5A1 ALA 288 HA -0.17 0.16 0.71 -0.75 4.34 4.29 2qv5A1 ALA 288 HB3 -0.70 0.06 0.10 -0.04 1.41 0.82 2qv5A1 LEU 289 H -0.30 0.57 0.09 -0.55 8.37 8.18 2qv5A1 LEU 289 HA 0.05 0.03 0.42 -0.75 4.35 4.10 2qv5A1 LEU 289 HB2 -0.18 0.10 0.01 -0.04 1.64 1.53 2qv5A1 LEU 289 HB3 -0.12 0.03 -0.02 -0.04 1.64 1.48 2qv5A1 LEU 289 HG -0.13 0.01 -0.20 -0.04 1.64 1.28 2qv5A1 LEU 289 HD13 0.13 -0.02 -0.06 -0.04 0.93 0.94 2qv5A1 LEU 289 HD23 -0.06 -0.03 -0.10 -0.04 0.89 0.67 2qv5A1 GLU 290 H -0.09 0.62 -0.01 -0.55 8.60 8.57 2qv5A1 GLU 290 HA -0.06 -0.01 0.34 -0.75 4.29 3.80 2qv5A1 GLU 290 HB2 -0.06 0.04 0.12 -0.04 2.09 2.15 2qv5A1 GLU 290 HB3 -0.04 0.05 0.05 -0.04 1.99 2.00 2qv5A1 GLU 290 HG2 -0.03 -0.02 -0.12 -0.04 2.34 2.13 2qv5A1 GLU 290 HG3 -0.04 -0.02 -0.01 -0.04 2.34 2.23 2qv5A1 PRO 291 HA -0.00 0.09 0.40 -0.51 4.44 4.41 2qv5A1 PRO 291 HB2 0.02 0.05 -0.05 -0.04 2.28 2.25 2qv5A1 PRO 291 HB3 0.00 -0.01 0.07 -0.04 2.02 2.04 2qv5A1 PRO 291 HG2 -0.01 0.07 0.10 -0.04 2.03 2.15 2qv5A1 PRO 291 HG3 -0.02 0.00 0.07 -0.04 2.03 2.05 2qv5A1 PRO 291 HD2 -0.02 0.28 -0.44 -0.04 3.68 3.46 2qv5A1 PRO 291 HD3 -0.04 0.11 -0.06 -0.04 3.65 3.62 2qv5A1 VAL 292 H 0.05 0.30 -0.38 -0.55 8.24 7.66 2qv5A1 VAL 292 HA 0.06 0.03 0.39 -0.75 4.13 3.86 2qv5A1 VAL 292 HB 0.17 0.14 0.12 -0.04 2.12 2.51 2qv5A1 VAL 292 HG13 0.13 -0.02 -0.13 -0.04 0.97 0.91 2qv5A1 VAL 292 HG23 0.22 0.01 -0.02 -0.04 0.95 1.12 2qv5A1 MET 293 H -0.02 0.59 -0.06 -0.55 8.47 8.44 2qv5A1 MET 293 HA -0.04 0.01 0.37 -0.75 4.52 4.11 2qv5A1 MET 293 HB2 -0.12 0.09 0.02 -0.04 2.15 2.09 2qv5A1 MET 293 HB3 -0.17 0.01 -0.08 -0.04 2.03 1.76 2qv5A1 MET 293 HG2 -0.65 -0.03 -0.07 -0.04 2.63 1.84 2qv5A1 MET 293 HG3 -0.26 0.08 -0.03 -0.04 2.56 2.30 2qv5A1 MET 293 HE3 -0.47 0.04 -0.06 -0.04 2.10 1.56 2qv5A1 ARG 294 H -0.01 0.47 -0.27 -0.55 8.46 8.10 2qv5A1 ARG 294 HA -0.00 0.09 0.54 -0.75 4.34 4.22 2qv5A1 ARG 294 HB2 0.01 0.05 0.14 -0.04 1.90 2.06 2qv5A1 ARG 294 HB3 0.01 -0.02 -0.02 -0.04 1.80 1.73 2qv5A1 ARG 294 HG2 -0.01 0.02 -0.00 -0.04 1.67 1.64 2qv5A1 ARG 294 HG3 -0.02 0.14 0.00 -0.04 1.67 1.76 2qv5A1 ARG 294 HD2 -0.01 -0.06 -0.07 -0.04 3.22 3.04 2qv5A1 ARG 294 HD3 -0.00 0.01 -0.03 -0.04 3.22 3.16 2qv5A1 ASP 295 H 0.04 0.50 -0.11 -0.55 8.40 8.28 2qv5A1 ASP 295 HA 0.07 0.04 0.45 -0.75 4.63 4.42 2qv5A1 ASP 295 HB2 0.06 -0.01 0.12 -0.04 2.71 2.85 2qv5A1 ASP 295 HB3 0.08 0.06 0.16 -0.04 2.70 2.96 2qv5A1 ILE 296 H 0.08 0.53 -0.09 -0.55 8.25 8.22 2qv5A1 ILE 296 HA 0.11 0.03 0.33 -0.75 4.18 3.89 2qv5A1 ILE 296 HB 0.13 0.03 0.05 -0.04 1.89 2.06 2qv5A1 ILE 296 HG12 0.15 -0.04 -0.06 -0.04 1.49 1.51 2qv5A1 ILE 296 HG13 0.13 0.03 0.01 -0.04 1.21 1.34 2qv5A1 ILE 296 HG23 0.18 0.01 -0.27 -0.04 0.93 0.82 2qv5A1 ILE 296 HD13 0.26 -0.04 -0.18 -0.04 0.88 0.89 2qv5A1 GLY 297 H 0.04 0.49 -0.27 -0.55 8.43 8.14 2qv5A1 GLY 297 HA2 0.04 0.09 0.38 -0.51 4.01 4.02 2qv5A1 GLY 297 HA3 0.02 0.08 0.33 -0.51 4.01 3.93 2qv5A1 LYS 298 H 0.03 0.48 -0.21 -0.55 8.42 8.17 2qv5A1 LYS 298 HA 0.02 0.06 0.38 -0.75 4.32 4.02 2qv5A1 LYS 298 HB2 0.02 -0.08 0.12 -0.04 1.87 1.90 2qv5A1 LYS 298 HB3 0.02 0.12 0.14 -0.04 1.79 2.03 2qv5A1 LYS 298 HG2 0.04 0.30 0.07 -0.04 1.46 1.84 2qv5A1 LYS 298 HG3 0.03 -0.06 -0.24 -0.04 1.46 1.15 2qv5A1 LYS 298 HD2 0.03 -0.06 -0.01 -0.04 1.69 1.61 2qv5A1 LYS 298 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.62 2qv5A1 LYS 298 HE2 0.07 0.09 0.02 -0.04 2.99 3.13 2qv5A1 LYS 298 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.94 2qv5A1 ARG 299 H 0.04 0.36 -0.41 -0.55 8.46 7.90 2qv5A1 ARG 299 HA 0.01 0.01 0.63 -0.75 4.34 4.23 2qv5A1 ARG 299 HB2 0.05 0.05 0.03 -0.04 1.90 1.98 2qv5A1 ARG 299 HB3 0.01 0.01 -0.05 -0.04 1.80 1.73 2qv5A1 ARG 299 HG2 0.01 -0.02 0.04 -0.04 1.67 1.66 2qv5A1 ARG 299 HG3 0.04 0.13 0.02 -0.04 1.67 1.82 2qv5A1 ARG 299 HD2 0.07 -0.09 -0.08 -0.04 3.22 3.07 2qv5A1 ARG 299 HD3 0.00 0.13 0.03 -0.04 3.22 3.35 2qv5A1 GLY 300 H 0.02 0.42 -0.37 -0.55 8.43 7.96 2qv5A1 GLY 300 HA2 0.02 0.10 0.29 -0.51 4.01 3.91 2qv5A1 GLY 300 HA3 0.01 -0.05 0.38 -0.51 4.01 3.83 2qv5A1 LEU 301 H 0.05 0.35 -0.10 -0.55 8.37 8.13 2qv5A1 LEU 301 HA 0.06 0.19 0.86 -0.75 4.35 4.70 2qv5A1 LEU 301 HB2 0.10 0.06 -0.05 -0.04 1.64 1.72 2qv5A1 LEU 301 HB3 0.12 -0.11 -0.02 -0.04 1.64 1.60 2qv5A1 LEU 301 HG 0.03 0.10 -0.34 -0.04 1.64 1.40 2qv5A1 LEU 301 HD13 0.14 -0.02 -0.09 -0.04 0.93 0.93 2qv5A1 LEU 301 HD23 -0.00 -0.03 -0.27 -0.04 0.89 0.55 2qv5A1 LEU 302 H 0.07 0.39 0.36 -0.55 8.37 8.64 2qv5A1 LEU 302 HA 0.08 0.32 0.75 -0.75 4.35 4.75 2qv5A1 LEU 302 HB2 0.05 -0.03 -0.14 -0.04 1.64 1.48 2qv5A1 LEU 302 HB3 0.05 0.08 -0.02 -0.04 1.64 1.71 2qv5A1 LEU 302 HG 0.06 -0.01 -0.19 -0.04 1.64 1.45 2qv5A1 LEU 302 HD13 0.01 -0.03 -0.51 -0.04 0.93 0.37 2qv5A1 LEU 302 HD23 0.04 0.00 -0.21 -0.04 0.89 0.67 2qv5A1 PHE 303 H 0.16 0.60 0.23 -0.55 8.34 8.77 2qv5A1 PHE 303 HA 0.00 0.18 0.86 -0.75 4.62 4.91 2qv5A1 PHE 303 HB2 -0.01 0.08 -0.08 -0.04 3.15 3.10 2qv5A1 PHE 303 HB3 -0.05 0.01 0.13 -0.04 3.06 3.11 2qv5A1 PHE 303 HD2 -0.05 0.01 -0.25 -0.04 7.28 6.94 2qv5A1 PHE 303 HE2 -0.02 -0.08 -0.17 -0.04 7.38 7.08 2qv5A1 PHE 303 HZ 0.02 -0.08 -0.11 -0.04 7.32 7.11 2qv5A1 LEU 304 H -0.32 0.79 0.26 -0.55 8.37 8.55 2qv5A1 LEU 304 HA -0.06 0.25 0.94 -0.75 4.35 4.73 2qv5A1 LEU 304 HB2 -0.05 0.01 -0.16 -0.04 1.64 1.39 2qv5A1 LEU 304 HB3 -0.12 -0.03 0.02 -0.04 1.64 1.47 2qv5A1 LEU 304 HG -0.05 -0.06 -0.44 -0.04 1.64 1.05 2qv5A1 LEU 304 HD13 -0.00 0.05 -0.29 -0.04 0.93 0.64 2qv5A1 LEU 304 HD23 -0.03 -0.02 -0.21 -0.04 0.89 0.59 2qv5A1 ASP 305 H -0.07 0.78 0.30 -0.55 8.40 8.86 2qv5A1 ASP 305 HA -0.02 0.01 0.84 -0.75 4.63 4.70 2qv5A1 ASP 305 HB2 0.13 0.07 -0.01 -0.04 2.71 2.86 2qv5A1 ASP 305 HB3 -0.23 0.08 0.14 -0.04 2.70 2.65 2qv5A1 ASP 306 H 0.03 0.15 0.16 -0.55 8.40 8.19 2qv5A1 ASP 306 HA 0.05 0.15 0.34 -0.75 4.63 4.41 2qv5A1 ASP 306 HB2 0.03 0.02 0.08 -0.04 2.71 2.79 2qv5A1 ASP 306 HB3 0.01 0.11 0.07 -0.04 2.70 2.85 2qv5A1 GLY 307 H 0.20 -0.01 -0.33 -0.55 8.43 7.74 2qv5A1 GLY 307 HA2 0.19 0.06 0.20 -0.51 4.01 3.95 2qv5A1 GLY 307 HA3 0.11 0.29 0.29 -0.51 4.01 4.19 2qv5A1 SER 308 H 0.07 -0.03 -0.35 -0.55 8.46 7.62 2qv5A1 SER 308 HA 0.04 0.19 0.36 -0.75 4.49 4.32 2qv5A1 SER 308 HB2 0.03 -0.00 0.03 -0.04 3.95 3.97 2qv5A1 SER 308 HB3 0.03 0.05 -0.03 -0.04 3.93 3.94 2qv5A1 SER 309 H 0.09 0.04 -0.35 -0.55 8.46 7.69 2qv5A1 SER 309 HA 0.09 0.20 0.88 -0.75 4.49 4.90 2qv5A1 SER 309 HB2 0.10 -0.05 0.01 -0.04 3.95 3.97 2qv5A1 SER 309 HB3 0.12 0.05 -0.01 -0.04 3.93 4.05 2qv5A1 ALA 310 H 0.05 0.21 0.07 -0.55 8.40 8.18 2qv5A1 ALA 310 HA -0.04 0.17 0.49 -0.75 4.34 4.21 2qv5A1 ALA 310 HB3 -0.01 0.03 0.08 -0.04 1.41 1.47 2qv5A1 GLN 311 H 0.07 -0.02 -0.23 -0.55 8.47 7.74 2qv5A1 GLN 311 HA 0.03 0.23 0.59 -0.75 4.36 4.46 2qv5A1 GLN 311 HB2 0.11 -0.04 0.01 -0.04 2.15 2.19 2qv5A1 GLN 311 HB3 0.06 0.06 0.13 -0.04 2.02 2.23 2qv5A1 GLN 311 HG2 0.06 -0.10 -0.01 -0.04 2.40 2.30 2qv5A1 GLN 311 HG3 0.06 0.03 0.01 -0.04 2.39 2.45 2qv5A1 GLN 311 HE21 0.00 0.07 -0.11 -0.04 6.97 6.89 2qv5A1 GLN 311 HE22 0.01 -0.11 -0.16 -0.04 7.69 7.39 2qv5A1 SER 312 H 0.08 0.21 -0.62 -0.55 8.46 7.59 2qv5A1 SER 312 HA 0.09 0.04 0.04 -0.75 4.49 3.90 2qv5A1 SER 312 HB2 0.16 -0.06 0.02 -0.04 3.95 4.02 2qv5A1 SER 312 HB3 0.25 0.16 0.04 -0.04 3.93 4.34 2qv5A1 LEU 313 H 0.05 0.58 0.25 -0.55 8.37 8.71 2qv5A1 LEU 313 HA 0.06 0.19 0.70 -0.75 4.35 4.54 2qv5A1 LEU 313 HB2 -0.02 0.13 0.07 -0.04 1.64 1.78 2qv5A1 LEU 313 HB3 -0.02 -0.10 0.13 -0.04 1.64 1.62 2qv5A1 LEU 313 HG 0.01 0.18 0.03 -0.04 1.64 1.83 2qv5A1 LEU 313 HD13 -0.03 -0.02 -0.15 -0.04 0.93 0.69 2qv5A1 LEU 313 HD23 0.01 0.00 -0.00 -0.04 0.89 0.86 2qv5A1 SER 314 H 0.09 0.09 -0.22 -0.55 8.46 7.87 2qv5A1 SER 314 HA -0.17 0.10 0.25 -0.75 4.49 3.92 2qv5A1 SER 314 HB2 -0.47 0.09 -0.02 -0.04 3.95 3.51 2qv5A1 SER 314 HB3 -0.06 -0.03 0.03 -0.04 3.93 3.83 2qv5A1 GLY 315 H 0.18 0.13 -0.27 -0.55 8.43 7.92 2qv5A1 GLY 315 HA2 -0.07 0.13 0.39 -0.51 4.01 3.95 2qv5A1 GLY 315 HA3 0.26 0.09 0.20 -0.51 4.01 4.05 2qv5A1 GLY 316 H 0.07 0.10 -0.19 -0.55 8.43 7.86 2qv5A1 GLY 316 HA2 0.03 0.11 0.45 -0.51 4.01 4.08 2qv5A1 GLY 316 HA3 0.02 0.06 0.26 -0.51 4.01 3.85 2qv5A1 ILE 317 H -0.03 0.51 -0.07 -0.55 8.25 8.11 2qv5A1 ILE 317 HA -0.04 0.05 0.43 -0.75 4.18 3.87 2qv5A1 ILE 317 HB -0.11 0.01 0.03 -0.04 1.89 1.78 2qv5A1 ILE 317 HG12 -0.05 -0.00 0.01 -0.04 1.49 1.40 2qv5A1 ILE 317 HG13 -0.04 0.05 0.05 -0.04 1.21 1.23 2qv5A1 ILE 317 HG23 -0.08 0.00 -0.19 -0.04 0.93 0.62 2qv5A1 ILE 317 HD13 -0.08 -0.05 -0.13 -0.04 0.88 0.58 2qv5A1 ALA 318 H -0.09 0.42 -0.24 -0.55 8.40 7.94 2qv5A1 ALA 318 HA -0.07 -0.00 0.36 -0.75 4.34 3.88 2qv5A1 ALA 318 HB3 -0.08 0.09 0.02 -0.04 1.41 1.40 2qv5A1 LYS 319 H -0.02 0.38 -0.21 -0.55 8.42 8.01 2qv5A1 LYS 319 HA -0.00 0.08 0.58 -0.75 4.32 4.22 2qv5A1 LYS 319 HB2 0.01 0.04 0.14 -0.04 1.87 2.03 2qv5A1 LYS 319 HB3 0.01 0.06 0.15 -0.04 1.79 1.97 2qv5A1 LYS 319 HG2 0.01 0.01 -0.10 -0.04 1.46 1.34 2qv5A1 LYS 319 HG3 0.01 -0.00 0.05 -0.04 1.46 1.48 2qv5A1 LYS 319 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 2qv5A1 LYS 319 HD3 0.02 -0.02 -0.00 -0.04 1.68 1.64 2qv5A1 LYS 319 HE2 0.01 0.07 0.02 -0.04 2.99 3.05 2qv5A1 LYS 319 HE3 0.01 -0.00 -0.06 -0.04 2.99 2.90 2qv5A1 ALA 320 H -0.01 0.42 -0.18 -0.55 8.40 8.07 2qv5A1 ALA 320 HA -0.01 0.03 0.43 -0.75 4.34 4.04 2qv5A1 ALA 320 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.45 2qv5A1 ILE 321 H -0.02 0.33 -0.23 -0.55 8.25 7.78 2qv5A1 ILE 321 HA -0.01 0.18 0.87 -0.75 4.18 4.46 2qv5A1 ILE 321 HB -0.01 -0.02 0.08 -0.04 1.89 1.90 2qv5A1 ILE 321 HG12 -0.04 0.12 -0.07 -0.04 1.49 1.45 2qv5A1 ILE 321 HG13 -0.02 0.03 -0.30 -0.04 1.21 0.87 2qv5A1 ILE 321 HG23 -0.03 0.01 -0.11 -0.04 0.93 0.77 2qv5A1 ILE 321 HD13 -0.04 -0.02 -0.25 -0.04 0.88 0.53 2qv5A1 SER 322 H -0.01 0.24 -0.35 -0.55 8.46 7.79 2qv5A1 SER 322 HA -0.00 0.06 0.32 -0.75 4.49 4.11 2qv5A1 SER 322 HB2 0.00 0.10 0.07 -0.04 3.95 4.07 2qv5A1 SER 322 HB3 0.00 -0.05 0.18 -0.04 3.93 4.03 2qv5A1 ALA 323 H -0.02 0.33 0.01 -0.55 8.40 8.18 2qv5A1 ALA 323 HA 0.01 0.25 0.81 -0.75 4.34 4.65 2qv5A1 ALA 323 HB3 -0.02 -0.03 -0.01 -0.04 1.41 1.31 2qv5A1 PRO 324 HA 0.02 0.07 0.58 -0.51 4.44 4.60 2qv5A1 PRO 324 HB2 0.04 -0.12 0.04 -0.04 2.28 2.20 2qv5A1 PRO 324 HB3 0.03 0.07 0.04 -0.04 2.02 2.11 2qv5A1 PRO 324 HG2 0.03 0.04 -0.05 -0.04 2.03 2.01 2qv5A1 PRO 324 HG3 0.02 0.08 0.02 -0.04 2.03 2.11 2qv5A1 PRO 324 HD2 0.04 0.18 0.23 -0.04 3.68 4.09 2qv5A1 PRO 324 HD3 0.02 0.23 0.26 -0.04 3.65 4.12 2qv5A1 GLN 325 H 0.01 0.32 0.25 -0.55 8.47 8.50 2qv5A1 GLN 325 HA 0.07 0.23 0.86 -0.75 4.36 4.76 2qv5A1 GLN 325 HB2 -0.03 0.05 -0.30 -0.04 2.15 1.83 2qv5A1 GLN 325 HB3 -0.06 0.01 -0.04 -0.04 2.02 1.89 2qv5A1 GLN 325 HG2 0.07 0.13 0.05 -0.04 2.40 2.61 2qv5A1 GLN 325 HG3 -0.14 -0.03 -0.16 -0.04 2.39 2.02 2qv5A1 GLN 325 HE21 -1.90 -0.05 -0.28 -0.04 6.97 4.70 2qv5A1 GLN 325 HE22 -0.63 -0.09 -0.25 -0.04 7.69 6.68 2qv5A1 GLY 326 H -0.03 0.52 0.34 -0.55 8.43 8.71 2qv5A1 GLY 326 HA2 -0.02 0.13 0.52 -0.51 4.01 4.13 2qv5A1 GLY 326 HA3 -0.00 0.06 0.27 -0.51 4.01 3.83 2qv5A1 PHE 327 H 0.16 0.25 0.11 -0.55 8.34 8.31 2qv5A1 PHE 327 HA 0.05 0.13 0.89 -0.75 4.62 4.93 2qv5A1 PHE 327 HB2 0.03 0.02 0.06 -0.04 3.15 3.22 2qv5A1 PHE 327 HB3 0.03 0.19 -0.07 -0.04 3.06 3.17 2qv5A1 PHE 327 HD2 0.04 0.02 -0.02 -0.04 7.28 7.27 2qv5A1 PHE 327 HE2 0.05 -0.05 -0.05 -0.04 7.38 7.29 2qv5A1 PHE 327 HZ 0.03 -0.13 -0.07 -0.04 7.32 7.11 2qv5A1 ALA 328 H 0.15 0.44 0.11 -0.55 8.40 8.56 2qv5A1 ALA 328 HA 0.06 0.02 0.56 -0.75 4.34 4.22 2qv5A1 ALA 328 HB3 0.04 0.02 -0.10 -0.04 1.41 1.34 2qv5A1 ASP 329 H 0.03 0.41 0.35 -0.55 8.40 8.64 2qv5A1 ASP 329 HA 0.02 0.12 0.64 -0.75 4.63 4.66 2qv5A1 ASP 329 HB2 0.00 0.02 0.16 -0.04 2.71 2.85 2qv5A1 ASP 329 HB3 0.00 0.00 0.04 -0.04 2.70 2.70 2qv5A1 VAL 330 H -0.01 0.35 0.21 -0.55 8.24 8.24 2qv5A1 VAL 330 HA -0.02 0.19 0.88 -0.75 4.13 4.43 2qv5A1 VAL 330 HB -0.06 -0.08 0.04 -0.04 2.12 1.97 2qv5A1 VAL 330 HG13 -0.06 0.04 -0.18 -0.04 0.97 0.72 2qv5A1 VAL 330 HG23 -0.04 0.01 -0.31 -0.04 0.95 0.58 2qv5A1 LEU 331 H -0.01 0.23 0.09 -0.55 8.37 8.12 2qv5A1 LEU 331 HA -0.01 0.14 0.92 -0.75 4.35 4.65 2qv5A1 LEU 331 HB2 0.01 0.09 0.06 -0.04 1.64 1.77 2qv5A1 LEU 331 HB3 -0.00 0.04 0.16 -0.04 1.64 1.79 2qv5A1 LEU 331 HG 0.01 -0.23 -0.27 -0.04 1.64 1.10 2qv5A1 LEU 331 HD13 0.03 0.04 -0.10 -0.04 0.93 0.86 2qv5A1 LEU 331 HD23 0.02 0.02 -0.03 -0.04 0.89 0.86 2qv5A1 LEU 332 H -0.03 0.75 0.28 -0.55 8.37 8.82 2qv5A1 LEU 332 HA -0.07 0.12 0.32 -0.75 4.35 3.96 2qv5A1 LEU 332 HB2 -0.05 -0.01 0.02 -0.04 1.64 1.56 2qv5A1 LEU 332 HB3 -0.10 0.00 0.01 -0.04 1.64 1.51 2qv5A1 LEU 332 HG -0.08 0.01 -0.05 -0.04 1.64 1.48 2qv5A1 LEU 332 HD13 -0.12 0.00 -0.19 -0.04 0.93 0.58 2qv5A1 LEU 332 HD23 -0.20 0.01 -0.23 -0.04 0.89 0.43 2qv5A1 ASP 333 H 0.01 0.10 -0.11 -0.55 8.40 7.84 2qv5A1 ASP 333 HA -0.02 0.33 0.86 -0.75 4.63 5.05 2qv5A1 ASP 333 HB2 0.05 -0.04 0.04 -0.04 2.71 2.72 2qv5A1 ASP 333 HB3 0.03 0.06 -0.12 -0.04 2.70 2.63 2qv5A1 GLY 334 H -0.01 0.26 -0.22 -0.55 8.43 7.92 2qv5A1 GLY 334 HA2 0.01 0.05 0.53 -0.51 4.01 4.10 2qv5A1 GLY 334 HA3 -0.00 0.08 0.24 -0.51 4.01 3.81 2qv5A1 GLU 335 H -0.03 0.16 -0.13 -0.55 8.60 8.05 2qv5A1 GLU 335 HA -0.06 0.20 0.69 -0.75 4.29 4.36 2qv5A1 GLU 335 HB2 -0.04 0.08 0.01 -0.04 2.09 2.11 2qv5A1 GLU 335 HB3 -0.04 -0.02 0.10 -0.04 1.99 1.98 2qv5A1 GLU 335 HG2 -0.05 -0.14 -0.26 -0.04 2.34 1.85 2qv5A1 GLU 335 HG3 -0.06 0.04 -0.06 -0.04 2.34 2.22 2qv5A1 VAL 336 H -0.14 0.23 -0.07 -0.55 8.24 7.72 2qv5A1 VAL 336 HA -0.10 0.12 0.49 -0.75 4.13 3.89 2qv5A1 VAL 336 HB -0.30 0.03 0.20 -0.04 2.12 2.01 2qv5A1 VAL 336 HG13 -0.31 -0.02 0.00 -0.04 0.97 0.59 2qv5A1 VAL 336 HG23 -0.55 0.05 -0.03 -0.04 0.95 0.38 2qv5A1 THR 337 H -0.06 0.50 -0.02 -0.55 8.28 8.16 2qv5A1 THR 337 HA -0.05 0.20 0.65 -0.75 4.39 4.44 2qv5A1 THR 337 HB -0.03 -0.04 0.09 -0.04 4.32 4.30 2qv5A1 THR 337 HG23 -0.05 0.03 -0.15 -0.04 1.22 1.01 2qv5A1 GLU 338 H -0.02 0.22 0.12 -0.55 8.60 8.37 2qv5A1 GLU 338 HA -0.01 0.10 0.40 -0.75 4.29 4.02 2qv5A1 GLU 338 HB2 -0.00 0.03 0.14 -0.04 2.09 2.22 2qv5A1 GLU 338 HB3 -0.00 -0.01 0.13 -0.04 1.99 2.07 2qv5A1 GLU 338 HG2 0.01 -0.01 -0.10 -0.04 2.34 2.20 2qv5A1 GLU 338 HG3 0.01 0.04 0.03 -0.04 2.34 2.38 2qv5A1 ALA 339 H -0.01 0.08 -0.11 -0.55 8.40 7.81 2qv5A1 ALA 339 HA -0.00 0.13 0.34 -0.75 4.34 4.05 2qv5A1 ALA 339 HB3 -0.01 0.03 0.05 -0.04 1.41 1.43 2qv5A1 SER 340 H -0.02 0.03 -0.20 -0.55 8.46 7.72 2qv5A1 SER 340 HA -0.03 0.08 0.48 -0.75 4.49 4.27 2qv5A1 SER 340 HB2 -0.04 0.04 0.15 -0.04 3.95 4.06 2qv5A1 SER 340 HB3 -0.03 0.03 0.07 -0.04 3.93 3.95 2qv5A1 ILE 341 H -0.03 0.44 -0.05 -0.55 8.25 8.06 2qv5A1 ILE 341 HA -0.06 0.27 0.51 -0.75 4.18 4.15 2qv5A1 ILE 341 HB -0.03 0.04 0.11 -0.04 1.89 1.97 2qv5A1 ILE 341 HG12 -0.03 0.04 0.01 -0.04 1.49 1.48 2qv5A1 ILE 341 HG13 -0.03 0.11 0.17 -0.04 1.21 1.42 2qv5A1 ILE 341 HG23 -0.06 -0.01 -0.09 -0.04 0.93 0.73 2qv5A1 ILE 341 HD13 -0.01 -0.06 -0.28 -0.04 0.88 0.49 2qv5A1 LEU 342 H -0.03 0.52 -0.06 -0.55 8.37 8.26 2qv5A1 LEU 342 HA -0.06 0.02 0.42 -0.75 4.35 3.98 2qv5A1 LEU 342 HB2 0.00 0.10 0.12 -0.04 1.64 1.83 2qv5A1 LEU 342 HB3 0.03 -0.00 0.01 -0.04 1.64 1.64 2qv5A1 LEU 342 HG 0.01 0.18 0.10 -0.04 1.64 1.88 2qv5A1 LEU 342 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.87 2qv5A1 LEU 342 HD23 0.08 -0.01 -0.00 -0.04 0.89 0.91 2qv5A1 ARG 343 H -0.03 0.41 -0.19 -0.55 8.46 8.09 2qv5A1 ARG 343 HA -0.01 0.05 0.55 -0.75 4.34 4.17 2qv5A1 ARG 343 HB2 -0.03 0.13 0.22 -0.04 1.90 2.18 2qv5A1 ARG 343 HB3 -0.02 -0.04 0.02 -0.04 1.80 1.72 2qv5A1 ARG 343 HG2 -0.00 -0.02 0.05 -0.04 1.67 1.66 2qv5A1 ARG 343 HG3 -0.01 0.16 0.09 -0.04 1.67 1.88 2qv5A1 ARG 343 HD2 -0.02 -0.04 0.00 -0.04 3.22 3.13 2qv5A1 ARG 343 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 2qv5A1 LYS 344 H -0.07 0.57 -0.02 -0.55 8.42 8.35 2qv5A1 LYS 344 HA -0.07 0.01 0.52 -0.75 4.32 4.03 2qv5A1 LYS 344 HB2 -0.09 0.20 0.30 -0.04 1.87 2.24 2qv5A1 LYS 344 HB3 -0.10 -0.11 0.01 -0.04 1.79 1.54 2qv5A1 LYS 344 HG2 -0.05 0.03 0.10 -0.04 1.46 1.50 2qv5A1 LYS 344 HG3 -0.05 0.07 0.12 -0.04 1.46 1.56 2qv5A1 LYS 344 HD2 -0.05 -0.06 0.08 -0.04 1.69 1.62 2qv5A1 LYS 344 HD3 -0.04 -0.03 -0.00 -0.04 1.68 1.57 2qv5A1 LYS 344 HE2 -0.03 -0.04 0.03 -0.04 2.99 2.91 2qv5A1 LYS 344 HE3 -0.03 0.08 0.08 -0.04 2.99 3.08 2qv5A1 LEU 345 H -0.21 0.63 -0.06 -0.55 8.37 8.18 2qv5A1 LEU 345 HA -0.56 -0.01 0.54 -0.75 4.35 3.57 2qv5A1 LEU 345 HB2 -0.42 0.11 0.11 -0.04 1.64 1.40 2qv5A1 LEU 345 HB3 -1.58 -0.00 -0.03 -0.04 1.64 -0.02 2qv5A1 LEU 345 HG -0.38 0.01 -0.03 -0.04 1.64 1.20 2qv5A1 LEU 345 HD13 -0.23 -0.02 -0.22 -0.04 0.93 0.42 2qv5A1 LEU 345 HD23 -0.98 -0.02 -0.06 -0.04 0.89 -0.21 2qv5A1 ASP 346 H -0.09 0.43 -0.28 -0.55 8.40 7.91 2qv5A1 ASP 346 HA 0.10 0.06 0.62 -0.75 4.63 4.65 2qv5A1 ASP 346 HB2 0.00 0.20 0.22 -0.04 2.71 3.08 2qv5A1 ASP 346 HB3 0.04 -0.05 0.00 -0.04 2.70 2.65 2qv5A1 ASP 347 H -0.05 0.49 -0.06 -0.55 8.40 8.23 2qv5A1 ASP 347 HA -0.01 0.02 0.46 -0.75 4.63 4.34 2qv5A1 ASP 347 HB2 -0.06 0.14 0.24 -0.04 2.71 2.99 2qv5A1 ASP 347 HB3 -0.03 -0.03 0.02 -0.04 2.70 2.62 2qv5A1 LEU 348 H -0.12 0.55 -0.20 -0.55 8.37 8.05 2qv5A1 LEU 348 HA -0.04 -0.02 0.23 -0.75 4.35 3.76 2qv5A1 LEU 348 HB2 -0.19 0.01 0.06 -0.04 1.64 1.48 2qv5A1 LEU 348 HB3 -0.32 0.16 0.07 -0.04 1.64 1.51 2qv5A1 LEU 348 HG -0.04 0.05 -0.26 -0.04 1.64 1.35 2qv5A1 LEU 348 HD13 -0.04 -0.03 -0.28 -0.04 0.93 0.53 2qv5A1 LEU 348 HD23 -0.27 0.00 -0.09 -0.04 0.89 0.49 2qv5A1 GLU 349 H 0.03 0.42 -0.32 -0.55 8.60 8.18 2qv5A1 GLU 349 HA 0.21 0.03 0.33 -0.75 4.29 4.11 2qv5A1 GLU 349 HB2 0.60 0.02 0.07 -0.04 2.09 2.74 2qv5A1 GLU 349 HB3 0.21 0.08 0.17 -0.04 1.99 2.41 2qv5A1 GLU 349 HG2 0.13 -0.01 -0.26 -0.04 2.34 2.15 2qv5A1 GLU 349 HG3 0.18 -0.01 -0.03 -0.04 2.34 2.44 2qv5A1 ARG 350 H 0.05 0.60 -0.14 -0.55 8.46 8.42 2qv5A1 ARG 350 HA 0.05 -0.00 0.39 -0.75 4.34 4.02 2qv5A1 ARG 350 HB2 0.03 0.00 0.10 -0.04 1.90 2.00 2qv5A1 ARG 350 HB3 0.02 0.11 0.19 -0.04 1.80 2.08 2qv5A1 ARG 350 HG2 0.02 0.01 -0.27 -0.04 1.67 1.39 2qv5A1 ARG 350 HG3 0.02 -0.03 0.01 -0.04 1.67 1.63 2qv5A1 ARG 350 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 2qv5A1 ARG 350 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.16 2qv5A1 ILE 351 H 0.02 0.62 -0.10 -0.55 8.25 8.24 2qv5A1 ILE 351 HA 0.02 0.01 0.47 -0.75 4.18 3.92 2qv5A1 ILE 351 HB 0.01 0.04 0.07 -0.04 1.89 1.96 2qv5A1 ILE 351 HG12 0.00 -0.04 0.02 -0.04 1.49 1.44 2qv5A1 ILE 351 HG13 0.00 0.07 0.06 -0.04 1.21 1.30 2qv5A1 ILE 351 HG23 0.01 0.00 -0.05 -0.04 0.93 0.85 2qv5A1 ILE 351 HD13 -0.01 -0.03 -0.10 -0.04 0.88 0.70 2qv5A1 ALA 352 H 0.04 0.67 -0.14 -0.55 8.40 8.42 2qv5A1 ALA 352 HA 0.03 0.04 0.06 -0.75 4.34 3.72 2qv5A1 ALA 352 HB3 0.07 0.03 -0.05 -0.04 1.41 1.42 2qv5A1 ARG 353 H 0.05 0.62 -0.19 -0.55 8.46 8.39 2qv5A1 ARG 353 HA 0.04 0.00 0.35 -0.75 4.34 3.97 2qv5A1 ARG 353 HB2 0.05 0.00 0.08 -0.04 1.90 1.99 2qv5A1 ARG 353 HB3 0.04 0.00 0.10 -0.04 1.80 1.90 2qv5A1 ARG 353 HG2 0.03 -0.02 -0.10 -0.04 1.67 1.54 2qv5A1 ARG 353 HG3 0.03 0.00 0.06 -0.04 1.67 1.72 2qv5A1 ARG 353 HD2 0.03 -0.04 -0.02 -0.04 3.22 3.15 2qv5A1 ARG 353 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.15 2qv5A1 ARG 354 H 0.03 0.47 -0.14 -0.55 8.46 8.26 2qv5A1 ARG 354 HA 0.02 0.04 0.47 -0.75 4.34 4.11 2qv5A1 ARG 354 HB2 0.02 -0.04 0.12 -0.04 1.90 1.96 2qv5A1 ARG 354 HB3 0.02 0.07 0.18 -0.04 1.80 2.03 2qv5A1 ARG 354 HG2 0.01 0.03 -0.19 -0.04 1.67 1.48 2qv5A1 ARG 354 HG3 0.01 -0.03 0.04 -0.04 1.67 1.66 2qv5A1 ARG 354 HD2 0.01 -0.01 -0.00 -0.04 3.22 3.18 2qv5A1 ARG 354 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 2qv5A1 ASN 355 H 0.02 0.64 -0.01 -0.55 8.53 8.63 2qv5A1 ASN 355 HA 0.02 0.08 0.63 -0.75 4.76 4.73 2qv5A1 ASN 355 HB2 0.02 0.23 0.19 -0.04 2.88 3.27 2qv5A1 ASN 355 HB3 0.02 -0.06 0.19 -0.04 2.79 2.89 2qv5A1 ASN 355 HD21 0.01 -0.09 0.04 -0.04 7.03 6.95 2qv5A1 ASN 355 HD22 0.02 0.03 0.07 -0.04 7.74 7.82 2qv5A1 GLY 356 H 0.02 0.35 -0.38 -0.55 8.43 7.87 2qv5A1 GLY 356 HA2 0.02 -0.03 0.37 -0.51 4.01 3.86 2qv5A1 GLY 356 HA3 0.02 0.11 0.82 -0.51 4.01 4.45 2qv5A1 GLN 357 H 0.01 0.19 -0.36 -0.55 8.47 7.76 2qv5A1 GLN 357 HA -0.01 0.37 0.85 -0.75 4.36 4.82 2qv5A1 GLN 357 HB2 -0.05 -0.07 0.02 -0.04 2.15 2.01 2qv5A1 GLN 357 HB3 -0.05 0.09 -0.13 -0.04 2.02 1.89 2qv5A1 GLN 357 HG2 -0.00 0.03 -0.07 -0.04 2.40 2.32 2qv5A1 GLN 357 HG3 -0.01 -0.08 -0.20 -0.04 2.39 2.07 2qv5A1 GLN 357 HE21 -0.02 0.36 0.09 -0.04 6.97 7.37 2qv5A1 GLN 357 HE22 -0.01 -0.14 -0.07 -0.04 7.69 7.43 2qv5A1 ALA 358 H 0.00 0.46 0.34 -0.55 8.40 8.65 2qv5A1 ALA 358 HA 0.01 0.09 0.38 -0.75 4.34 4.07 2qv5A1 ALA 358 HB3 0.01 0.03 -0.03 -0.04 1.41 1.38 2qv5A1 ILE 359 H 0.01 0.15 0.22 -0.55 8.25 8.09 2qv5A1 ILE 359 HA -0.00 0.35 1.05 -0.75 4.18 4.83 2qv5A1 ILE 359 HB 0.02 -0.05 0.15 -0.04 1.89 1.98 2qv5A1 ILE 359 HG12 -0.01 0.02 -0.12 -0.04 1.49 1.34 2qv5A1 ILE 359 HG13 0.00 -0.03 -0.34 -0.04 1.21 0.80 2qv5A1 ILE 359 HG23 0.01 -0.02 -0.25 -0.04 0.93 0.62 2qv5A1 ILE 359 HD13 0.01 0.03 -0.22 -0.04 0.88 0.66 2qv5A1 GLY 360 H -0.02 0.71 0.41 -0.55 8.43 8.98 2qv5A1 GLY 360 HA2 -0.03 0.23 1.04 -0.51 4.01 4.73 2qv5A1 GLY 360 HA3 -0.07 0.02 0.39 -0.51 4.01 3.84 2qv5A1 VAL 361 H -0.02 0.56 0.43 -0.55 8.24 8.65 2qv5A1 VAL 361 HA -0.02 0.26 1.08 -0.75 4.13 4.70 2qv5A1 VAL 361 HB -0.00 -0.01 0.08 -0.04 2.12 2.15 2qv5A1 VAL 361 HG13 0.00 -0.01 -0.17 -0.04 0.97 0.75 2qv5A1 VAL 361 HG23 0.01 -0.00 0.04 -0.04 0.95 0.96 2qv5A1 ALA 362 H -0.02 0.83 0.44 -0.55 8.40 9.10 2qv5A1 ALA 362 HA 0.01 -0.05 0.52 -0.75 4.34 4.08 2qv5A1 ALA 362 HB3 -0.01 0.03 0.03 -0.04 1.41 1.42 2qv5A1 SER 363 H 0.04 0.11 0.17 -0.55 8.46 8.24 2qv5A1 SER 363 HA -0.16 0.18 0.81 -0.75 4.49 4.56 2qv5A1 SER 363 HB2 -0.29 -0.03 0.04 -0.04 3.95 3.62 2qv5A1 SER 363 HB3 -0.56 0.03 0.02 -0.04 3.93 3.37 2qv5A1 ALA 364 H -0.33 0.35 0.11 -0.55 8.40 7.98 2qv5A1 ALA 364 HA -0.16 0.16 0.48 -0.75 4.34 4.06 2qv5A1 ALA 364 HB3 -0.26 0.03 0.01 -0.04 1.41 1.15 2qv5A1 PHE 365 H -0.09 0.33 -0.37 -0.55 8.34 7.65 2qv5A1 PHE 365 HA -0.06 0.14 0.66 -0.75 4.62 4.61 2qv5A1 PHE 365 HB2 -0.04 -0.05 0.08 -0.04 3.15 3.10 2qv5A1 PHE 365 HB3 -0.04 -0.05 0.07 -0.04 3.06 3.01 2qv5A1 PHE 365 HD2 -0.03 -0.01 0.02 -0.04 7.28 7.22 2qv5A1 PHE 365 HE2 -0.02 0.05 -0.02 -0.04 7.38 7.35 2qv5A1 PHE 365 HZ -0.01 0.04 -0.02 -0.04 7.32 7.30 2qv5A1 ASP 366 H 0.12 0.19 0.14 -0.55 8.40 8.30 2qv5A1 ASP 366 HA 0.01 0.15 0.35 -0.75 4.63 4.38 2qv5A1 ASP 366 HB2 0.03 -0.04 0.14 -0.04 2.71 2.81 2qv5A1 ASP 366 HB3 0.01 0.07 -0.04 -0.04 2.70 2.70 2qv5A1 GLU 367 H 0.05 0.08 -0.15 -0.55 8.60 8.04 2qv5A1 GLU 367 HA 0.01 0.14 0.44 -0.75 4.29 4.12 2qv5A1 GLU 367 HB2 -0.01 -0.02 -0.09 -0.04 2.09 1.93 2qv5A1 GLU 367 HB3 -0.01 -0.01 -0.17 -0.04 1.99 1.76 2qv5A1 GLU 367 HG2 -0.01 -0.04 -0.00 -0.04 2.34 2.25 2qv5A1 GLU 367 HG3 -0.04 0.14 -0.05 -0.04 2.34 2.35 2qv5A1 SER 368 H 0.09 0.05 -0.33 -0.55 8.46 7.72 2qv5A1 SER 368 HA 0.02 0.05 0.35 -0.75 4.49 4.16 2qv5A1 SER 368 HB2 0.07 0.18 0.18 -0.04 3.95 4.33 2qv5A1 SER 368 HB3 0.03 0.02 0.02 -0.04 3.93 3.96 2qv5A1 ILE 369 H 0.02 0.49 -0.15 -0.55 8.25 8.06 2qv5A1 ILE 369 HA -0.00 0.05 0.31 -0.75 4.18 3.79 2qv5A1 ILE 369 HB -0.01 0.04 0.04 -0.04 1.89 1.92 2qv5A1 ILE 369 HG12 -0.07 0.03 -0.06 -0.04 1.49 1.36 2qv5A1 ILE 369 HG13 -0.05 -0.03 -0.06 -0.04 1.21 1.03 2qv5A1 ILE 369 HG23 -0.02 0.02 -0.26 -0.04 0.93 0.64 2qv5A1 ILE 369 HD13 -0.10 -0.02 -0.22 -0.04 0.88 0.50 2qv5A1 ALA 370 H 0.02 0.40 -0.21 -0.55 8.40 8.06 2qv5A1 ALA 370 HA 0.03 0.10 0.31 -0.75 4.34 4.02 2qv5A1 ALA 370 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 2qv5A1 ALA 371 H 0.03 0.47 -0.17 -0.55 8.40 8.18 2qv5A1 ALA 371 HA 0.06 0.04 0.38 -0.75 4.34 4.07 2qv5A1 ALA 371 HB3 0.02 -0.01 0.05 -0.04 1.41 1.42 2qv5A1 ILE 372 H 0.04 0.64 -0.10 -0.55 8.25 8.28 2qv5A1 ILE 372 HA 0.11 -0.02 0.45 -0.75 4.18 3.97 2qv5A1 ILE 372 HB 0.03 0.13 0.07 -0.04 1.89 2.08 2qv5A1 ILE 372 HG12 -0.05 -0.04 -0.07 -0.04 1.49 1.29 2qv5A1 ILE 372 HG13 -0.02 -0.03 -0.01 -0.04 1.21 1.12 2qv5A1 ILE 372 HG23 0.07 -0.00 -0.17 -0.04 0.93 0.79 2qv5A1 ILE 372 HD13 -0.02 -0.03 -0.17 -0.04 0.88 0.62 2qv5A1 SER 373 H 0.06 0.71 -0.09 -0.55 8.46 8.60 2qv5A1 SER 373 HA 0.09 0.02 0.42 -0.75 4.49 4.26 2qv5A1 SER 373 HB2 0.05 -0.02 0.10 -0.04 3.95 4.04 2qv5A1 SER 373 HB3 0.05 0.11 0.01 -0.04 3.93 4.06 2qv5A1 LYS 374 H 0.09 0.44 -0.19 -0.55 8.42 8.20 2qv5A1 LYS 374 HA 0.05 0.06 0.39 -0.75 4.32 4.07 2qv5A1 LYS 374 HB2 0.06 0.04 0.12 -0.04 1.87 2.04 2qv5A1 LYS 374 HB3 0.10 0.05 0.15 -0.04 1.79 2.06 2qv5A1 LYS 374 HG2 0.07 -0.01 -0.23 -0.04 1.46 1.25 2qv5A1 LYS 374 HG3 0.04 -0.01 0.01 -0.04 1.46 1.46 2qv5A1 LYS 374 HD2 0.05 -0.01 -0.02 -0.04 1.69 1.66 2qv5A1 LYS 374 HD3 0.08 -0.02 -0.03 -0.04 1.68 1.67 2qv5A1 LYS 374 HE2 0.03 0.00 -0.03 -0.04 2.99 2.96 2qv5A1 LYS 374 HE3 0.04 -0.04 -0.03 -0.04 2.99 2.91 2qv5A1 TRP 375 H 0.28 0.55 -0.06 -0.55 7.97 8.19 2qv5A1 TRP 375 HA 0.01 0.03 0.40 -0.75 4.62 4.31 2qv5A1 TRP 375 HB2 0.01 0.05 0.11 -0.04 3.23 3.36 2qv5A1 TRP 375 HB3 0.01 0.02 0.11 -0.04 3.23 3.33 2qv5A1 TRP 375 HD1 0.01 -0.02 -0.04 -0.04 7.22 7.13 2qv5A1 TRP 375 HE1 0.01 0.02 -0.14 -0.04 10.20 10.04 2qv5A1 TRP 375 HE3 0.01 0.02 -0.30 -0.04 7.59 7.28 2qv5A1 TRP 375 HZ2 0.01 0.01 -0.06 -0.04 7.44 7.36 2qv5A1 TRP 375 HZ3 0.01 0.01 -0.17 -0.04 7.13 6.93 2qv5A1 TRP 375 HH2 0.00 0.03 -0.16 -0.04 7.19 7.01 2qv5A1 SER 376 H 0.30 0.66 -0.10 -0.55 8.46 8.77 2qv5A1 SER 376 HA 0.07 0.00 0.38 -0.75 4.49 4.18 2qv5A1 SER 376 HB2 0.12 0.00 0.01 -0.04 3.95 4.04 2qv5A1 SER 376 HB3 0.28 0.00 0.05 -0.04 3.93 4.22 2qv5A1 ARG 377 H 0.03 0.49 -0.21 -0.55 8.46 8.22 2qv5A1 ARG 377 HA -0.02 0.06 0.58 -0.75 4.34 4.20 2qv5A1 ARG 377 HB2 0.01 0.13 0.18 -0.04 1.90 2.18 2qv5A1 ARG 377 HB3 -0.01 -0.06 0.07 -0.04 1.80 1.76 2qv5A1 ARG 377 HG2 0.01 -0.05 0.09 -0.04 1.67 1.68 2qv5A1 ARG 377 HG3 0.03 0.04 0.12 -0.04 1.67 1.81 2qv5A1 ARG 377 HD2 0.03 -0.03 -0.03 -0.04 3.22 3.14 2qv5A1 ARG 377 HD3 0.02 -0.06 0.02 -0.04 3.22 3.15 2qv5A1 GLU 378 H -0.14 0.32 -0.33 -0.55 8.60 7.91 2qv5A1 GLU 378 HA -0.11 0.12 0.77 -0.75 4.29 4.31 2qv5A1 GLU 378 HB2 -0.20 0.08 0.10 -0.04 2.09 2.04 2qv5A1 GLU 378 HB3 -0.15 -0.07 0.10 -0.04 1.99 1.83 2qv5A1 GLU 378 HG2 -0.05 -0.03 -0.03 -0.04 2.34 2.19 2qv5A1 GLU 378 HG3 -0.04 0.10 -0.05 -0.04 2.34 2.30 2qv5A1 ALA 379 H -0.34 0.26 -0.22 -0.55 8.40 7.55 2qv5A1 ALA 379 HA -0.60 0.02 0.27 -0.75 4.34 3.27 2qv5A1 ALA 379 HB3 -0.61 0.03 0.02 -0.04 1.41 0.81 2qv5A1 GLY 380 H -0.14 0.18 -0.19 -0.55 8.43 7.73 2qv5A1 GLY 380 HA2 -0.06 0.19 0.41 -0.51 4.01 4.03 2qv5A1 GLY 380 HA3 -0.06 0.05 0.28 -0.51 4.01 3.78 2qv5A1 GLY 381 H -0.10 0.30 -0.30 -0.55 8.43 7.77 2qv5A1 GLY 381 HA2 -0.04 0.03 0.41 -0.51 4.01 3.90 2qv5A1 GLY 381 HA3 -0.07 0.04 0.30 -0.51 4.01 3.78 2qv5A1 ARG 382 H -0.11 0.43 -0.46 -0.55 8.46 7.77 2qv5A1 ARG 382 HA -0.04 0.16 0.82 -0.75 4.34 4.53 2qv5A1 ARG 382 HB2 -0.12 0.08 0.09 -0.04 1.90 1.91 2qv5A1 ARG 382 HB3 -0.04 -0.04 0.16 -0.04 1.80 1.84 2qv5A1 ARG 382 HG2 -0.04 0.04 -0.07 -0.04 1.67 1.55 2qv5A1 ARG 382 HG3 -0.09 -0.01 -0.23 -0.04 1.67 1.30 2qv5A1 ARG 382 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2qv5A1 ARG 382 HD3 -0.04 -0.03 -0.05 -0.04 3.22 3.05 2qv5A1 GLY 383 H -0.04 0.40 -0.19 -0.55 8.43 8.06 2qv5A1 GLY 383 HA2 -0.01 0.03 0.29 -0.51 4.01 3.81 2qv5A1 GLY 383 HA3 -0.00 -0.00 0.41 -0.51 4.01 3.91 2qv5A1 ILE 384 H -0.06 0.27 -0.23 -0.55 8.25 7.68 2qv5A1 ILE 384 HA 0.01 0.32 0.81 -0.75 4.18 4.57 2qv5A1 ILE 384 HB -0.14 0.01 -0.09 -0.04 1.89 1.63 2qv5A1 ILE 384 HG12 0.06 -0.02 -0.21 -0.04 1.49 1.28 2qv5A1 ILE 384 HG13 -0.00 0.12 -0.41 -0.04 1.21 0.88 2qv5A1 ILE 384 HG23 0.05 -0.04 -0.41 -0.04 0.93 0.49 2qv5A1 ILE 384 HD13 0.01 -0.03 -0.09 -0.04 0.88 0.74 2qv5A1 GLU 385 H 0.03 0.66 0.18 -0.55 8.60 8.93 2qv5A1 GLU 385 HA 0.03 0.09 0.87 -0.75 4.29 4.53 2qv5A1 GLU 385 HB2 0.10 0.01 -0.01 -0.04 2.09 2.15 2qv5A1 GLU 385 HB3 0.09 0.07 0.08 -0.04 1.99 2.18 2qv5A1 GLU 385 HG2 0.13 0.03 -0.34 -0.04 2.34 2.12 2qv5A1 GLU 385 HG3 0.11 0.02 0.02 -0.04 2.34 2.45 2qv5A1 ILE 386 H 0.03 0.15 0.08 -0.55 8.25 7.96 2qv5A1 ILE 386 HA 0.05 0.29 0.93 -0.75 4.18 4.70 2qv5A1 ILE 386 HB 0.06 -0.04 0.10 -0.04 1.89 1.97 2qv5A1 ILE 386 HG12 0.02 0.01 0.01 -0.04 1.49 1.49 2qv5A1 ILE 386 HG13 0.09 -0.05 0.03 -0.04 1.21 1.24 2qv5A1 ILE 386 HG23 0.10 0.03 -0.15 -0.04 0.93 0.87 2qv5A1 ILE 386 HD13 0.20 -0.01 -0.17 -0.04 0.88 0.85 2qv5A1 VAL 387 H -0.03 0.55 0.31 -0.55 8.24 8.53 2qv5A1 VAL 387 HA 0.02 0.20 0.93 -0.75 4.13 4.52 2qv5A1 VAL 387 HB -0.36 -0.02 0.05 -0.04 2.12 1.75 2qv5A1 VAL 387 HG13 -0.25 0.02 -0.24 -0.04 0.97 0.45 2qv5A1 VAL 387 HG23 -0.33 0.03 -0.23 -0.04 0.95 0.39 2qv5A1 GLY 388 H 0.02 0.23 0.14 -0.55 8.43 8.27 2qv5A1 GLY 388 HA2 0.03 0.10 0.58 -0.51 4.01 4.21 2qv5A1 GLY 388 HA3 0.04 0.01 0.40 -0.51 4.01 3.95 2qv5A1 VAL 389 H 0.02 0.14 0.11 -0.55 8.24 7.97 2qv5A1 VAL 389 HA -0.02 0.12 0.33 -0.75 4.13 3.80 2qv5A1 VAL 389 HB 0.02 -0.02 -0.02 -0.04 2.12 2.06 2qv5A1 VAL 389 HG13 0.00 0.01 -0.32 -0.04 0.97 0.62 2qv5A1 VAL 389 HG23 0.01 0.01 -0.11 -0.04 0.95 0.81 2qv5A1 SER 390 H 0.03 0.06 -0.24 -0.55 8.46 7.76 2qv5A1 SER 390 HA 0.02 0.00 0.27 -0.75 4.49 4.02 2qv5A1 SER 390 HB2 0.05 0.00 0.06 -0.04 3.95 4.02 2qv5A1 SER 390 HB3 0.05 0.00 0.02 -0.04 3.93 3.96 2qv5A1 ALA 391 H -0.06 0.24 -0.46 -0.55 8.40 7.58 2qv5A1 ALA 391 HA -0.00 0.10 0.35 -0.75 4.34 4.04 2qv5A1 ALA 391 HB3 -0.58 0.03 -0.00 -0.04 1.41 0.83 2qv5A1 LEU 392 H -0.09 0.28 -0.48 -0.55 8.37 7.54 2qv5A1 LEU 392 HA -0.11 0.20 0.59 -0.75 4.35 4.28 2qv5A1 LEU 392 HB2 -0.06 0.02 -0.04 -0.04 1.64 1.52 2qv5A1 LEU 392 HB3 -0.05 -0.06 -0.13 -0.04 1.64 1.36 2qv5A1 LEU 392 HG -0.16 0.05 -0.24 -0.04 1.64 1.25 2qv5A1 LEU 392 HD13 -0.05 -0.05 -0.21 -0.04 0.93 0.57 2qv5A1 LEU 392 HD23 -0.21 0.03 -0.26 -0.04 0.89 0.41 2qv5A1 VAL 393 H -0.02 0.23 -0.14 -0.55 8.24 7.76 2qv5A1 VAL 393 HA 0.01 0.17 0.30 -0.75 4.13 3.86 2qv5A1 VAL 393 HB 0.01 -0.02 -0.14 -0.04 2.12 1.93 2qv5A1 VAL 393 HG13 0.02 0.04 -0.33 -0.04 0.97 0.66 2qv5A1 VAL 393 HG23 0.00 -0.01 -0.27 -0.04 0.95 0.63